USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot -175:sc= 0.491 USER MOD Set 1.2: A 81 THR OG1 : rot 82:sc= 0.983 USER MOD Set 1.3: A 97 THR OG1 : rot 73:sc= -0.95 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.176) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -7.32! C(o=-7.3!,f=-7.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00676 K(o=-0.0068,f=-0.75) USER MOD Single : A 53 THR OG1 : rot -82:sc= 0.846 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -112:sc= -5.4! USER MOD Single : A 59 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.13) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 65 GLN : amide:sc= -1.9! C(o=-1.9!,f=-2.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00474 X(o=-0.0047,f=-0.12) USER MOD Single : A 70 THR OG1 : rot -60:sc= 1.11 USER MOD Single : A 72 SER OG : rot -150:sc= -0.965 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -7.59! C(o=-7.6!,f=-9.5!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 61:sc= 1.05 USER MOD Single : A 89 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-6.3!) USER MOD Single : A 90 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.947 5.907 -3.370 1.00 0.00 N ATOM 95 CA SER A 6 -6.949 5.546 -4.778 1.00 0.00 C ATOM 96 C SER A 6 -6.339 4.155 -4.962 1.00 0.00 C ATOM 97 O SER A 6 -6.741 3.410 -5.854 1.00 0.00 O ATOM 98 CB SER A 6 -6.185 6.575 -5.612 1.00 0.00 C ATOM 99 OG SER A 6 -7.061 7.447 -6.319 1.00 0.00 O ATOM 0 HA SER A 6 -7.982 5.532 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.538 7.162 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.538 6.058 -6.321 1.00 0.00 H new ATOM 0 HG SER A 6 -6.534 8.090 -6.838 1.00 0.00 H new ATOM 105 N VAL A 7 -5.378 3.847 -4.103 1.00 0.00 N ATOM 106 CA VAL A 7 -4.710 2.558 -4.159 1.00 0.00 C ATOM 107 C VAL A 7 -5.706 1.453 -3.803 1.00 0.00 C ATOM 108 O VAL A 7 -5.885 0.505 -4.565 1.00 0.00 O ATOM 109 CB VAL A 7 -3.478 2.568 -3.251 1.00 0.00 C ATOM 110 CG1 VAL A 7 -2.701 1.255 -3.366 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.579 3.766 -3.559 1.00 0.00 C ATOM 0 H VAL A 7 -5.046 4.468 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.353 2.358 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.822 2.664 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.831 1.289 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.344 0.425 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.374 1.115 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.711 3.749 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.248 3.715 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.136 4.689 -3.401 1.00 0.00 H new ATOM 121 N LEU A 8 -6.330 1.614 -2.645 1.00 0.00 N ATOM 122 CA LEU A 8 -7.304 0.643 -2.178 1.00 0.00 C ATOM 123 C LEU A 8 -8.577 1.372 -1.744 1.00 0.00 C ATOM 124 O LEU A 8 -8.518 2.515 -1.293 1.00 0.00 O ATOM 125 CB LEU A 8 -6.698 -0.242 -1.087 1.00 0.00 C ATOM 126 CG LEU A 8 -5.551 0.375 -0.284 1.00 0.00 C ATOM 127 CD1 LEU A 8 -5.452 -0.259 1.105 1.00 0.00 C ATOM 128 CD2 LEU A 8 -4.231 0.281 -1.053 1.00 0.00 C ATOM 0 H LEU A 8 -6.180 2.403 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.584 -0.034 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.490 -0.524 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.338 -1.161 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.765 1.434 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.629 0.197 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.384 -0.097 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.272 -1.329 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.432 0.727 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.997 -0.766 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.322 0.815 -1.999 1.00 0.00 H new ATOM 140 N SER A 9 -9.697 0.681 -1.894 1.00 0.00 N ATOM 141 CA SER A 9 -10.982 1.249 -1.523 1.00 0.00 C ATOM 142 C SER A 9 -11.219 1.070 -0.022 1.00 0.00 C ATOM 143 O SER A 9 -10.339 0.598 0.697 1.00 0.00 O ATOM 144 CB SER A 9 -12.119 0.604 -2.320 1.00 0.00 C ATOM 145 OG SER A 9 -13.078 1.566 -2.754 1.00 0.00 O ATOM 0 H SER A 9 -9.742 -0.267 -2.267 1.00 0.00 H new ATOM 0 HA SER A 9 -10.967 2.313 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.707 0.086 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.612 -0.148 -1.704 1.00 0.00 H new ATOM 0 HG SER A 9 -13.786 1.116 -3.260 1.00 0.00 H new ATOM 151 N GLY A 10 -12.411 1.459 0.407 1.00 0.00 N ATOM 152 CA GLY A 10 -12.774 1.348 1.809 1.00 0.00 C ATOM 153 C GLY A 10 -12.615 -0.091 2.305 1.00 0.00 C ATOM 154 O GLY A 10 -11.906 -0.340 3.279 1.00 0.00 O ATOM 0 H GLY A 10 -13.137 1.851 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.148 2.013 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.805 1.672 1.948 1.00 0.00 H new ATOM 158 N GLY A 11 -13.286 -0.998 1.613 1.00 0.00 N ATOM 159 CA GLY A 11 -13.229 -2.406 1.970 1.00 0.00 C ATOM 160 C GLY A 11 -11.802 -2.945 1.849 1.00 0.00 C ATOM 161 O GLY A 11 -11.324 -3.652 2.733 1.00 0.00 O ATOM 0 H GLY A 11 -13.873 -0.786 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.587 -2.541 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.893 -2.977 1.321 1.00 0.00 H new ATOM 165 N GLU A 12 -11.162 -2.588 0.744 1.00 0.00 N ATOM 166 CA GLU A 12 -9.799 -3.027 0.495 1.00 0.00 C ATOM 167 C GLU A 12 -8.867 -2.516 1.596 1.00 0.00 C ATOM 168 O GLU A 12 -7.875 -3.164 1.925 1.00 0.00 O ATOM 169 CB GLU A 12 -9.320 -2.572 -0.884 1.00 0.00 C ATOM 170 CG GLU A 12 -10.335 -2.944 -1.968 1.00 0.00 C ATOM 171 CD GLU A 12 -9.697 -3.842 -3.030 1.00 0.00 C ATOM 172 OE1 GLU A 12 -8.663 -3.415 -3.588 1.00 0.00 O ATOM 173 OE2 GLU A 12 -10.258 -4.936 -3.259 1.00 0.00 O ATOM 0 H GLU A 12 -11.562 -2.001 0.012 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.781 -4.117 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.165 -1.493 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.358 -3.032 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.184 -3.456 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.721 -2.039 -2.436 1.00 0.00 H new ATOM 180 N LEU A 13 -9.220 -1.358 2.135 1.00 0.00 N ATOM 181 CA LEU A 13 -8.427 -0.752 3.191 1.00 0.00 C ATOM 182 C LEU A 13 -8.645 -1.525 4.494 1.00 0.00 C ATOM 183 O LEU A 13 -7.698 -1.773 5.238 1.00 0.00 O ATOM 184 CB LEU A 13 -8.736 0.742 3.304 1.00 0.00 C ATOM 185 CG LEU A 13 -7.865 1.673 2.459 1.00 0.00 C ATOM 186 CD1 LEU A 13 -8.711 2.757 1.788 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.728 2.266 3.293 1.00 0.00 C ATOM 0 H LEU A 13 -10.044 -0.824 1.860 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.365 -0.817 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.778 0.899 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.638 1.035 4.349 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.407 1.085 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.067 3.405 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.453 2.290 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.216 3.349 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.124 2.924 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.145 2.836 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.104 1.461 3.682 1.00 0.00 H new ATOM 199 N ASP A 14 -9.899 -1.884 4.728 1.00 0.00 N ATOM 200 CA ASP A 14 -10.253 -2.623 5.928 1.00 0.00 C ATOM 201 C ASP A 14 -9.457 -3.929 5.971 1.00 0.00 C ATOM 202 O ASP A 14 -8.897 -4.284 7.007 1.00 0.00 O ATOM 203 CB ASP A 14 -11.742 -2.977 5.937 1.00 0.00 C ATOM 204 CG ASP A 14 -12.591 -2.180 6.929 1.00 0.00 C ATOM 205 OD1 ASP A 14 -13.008 -1.064 6.551 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.802 -2.703 8.044 1.00 0.00 O ATOM 0 H ASP A 14 -10.682 -1.677 4.108 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.026 -1.996 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.142 -2.824 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.846 -4.038 6.163 1.00 0.00 H new ATOM 211 N LYS A 15 -9.433 -4.608 4.834 1.00 0.00 N ATOM 212 CA LYS A 15 -8.714 -5.865 4.729 1.00 0.00 C ATOM 213 C LYS A 15 -7.210 -5.591 4.738 1.00 0.00 C ATOM 214 O LYS A 15 -6.450 -6.294 5.404 1.00 0.00 O ATOM 215 CB LYS A 15 -9.189 -6.653 3.505 1.00 0.00 C ATOM 216 CG LYS A 15 -9.273 -8.150 3.815 1.00 0.00 C ATOM 217 CD LYS A 15 -10.542 -8.761 3.220 1.00 0.00 C ATOM 218 CE LYS A 15 -11.395 -9.419 4.306 1.00 0.00 C ATOM 219 NZ LYS A 15 -11.913 -10.726 3.839 1.00 0.00 N ATOM 0 H LYS A 15 -9.900 -4.311 3.977 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.927 -6.498 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.166 -6.288 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.504 -6.488 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.397 -8.658 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.263 -8.303 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.121 -7.987 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.274 -9.500 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.800 -9.559 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.226 -8.765 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.490 -11.159 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.497 -10.585 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.116 -11.353 3.610 1.00 0.00 H new ATOM 233 N TRP A 16 -6.822 -4.568 3.990 1.00 0.00 N ATOM 234 CA TRP A 16 -5.421 -4.192 3.904 1.00 0.00 C ATOM 235 C TRP A 16 -4.919 -3.911 5.322 1.00 0.00 C ATOM 236 O TRP A 16 -3.732 -4.066 5.605 1.00 0.00 O ATOM 237 CB TRP A 16 -5.229 -3.007 2.956 1.00 0.00 C ATOM 238 CG TRP A 16 -4.011 -2.140 3.281 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.912 -1.168 4.198 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.715 -2.208 2.651 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.652 -0.606 4.204 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.900 -1.258 3.234 1.00 0.00 C ATOM 243 CE3 TRP A 16 -2.246 -3.044 1.623 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.568 -1.055 2.856 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.912 -2.828 1.257 1.00 0.00 C ATOM 246 CH2 TRP A 16 -0.078 -1.877 1.833 1.00 0.00 C ATOM 0 H TRP A 16 -7.454 -3.988 3.438 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.829 -5.003 3.480 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.133 -3.382 1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -6.123 -2.384 2.984 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.717 -0.863 4.850 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.331 0.150 4.809 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.865 -3.793 1.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.049 -0.305 3.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.502 -3.444 0.471 1.00 0.00 H new ATOM 0 HH2 TRP A 16 0.942 -1.772 1.494 1.00 0.00 H new ATOM 257 N GLU A 17 -5.847 -3.503 6.174 1.00 0.00 N ATOM 258 CA GLU A 17 -5.514 -3.198 7.555 1.00 0.00 C ATOM 259 C GLU A 17 -5.654 -4.450 8.423 1.00 0.00 C ATOM 260 O GLU A 17 -5.832 -4.352 9.636 1.00 0.00 O ATOM 261 CB GLU A 17 -6.383 -2.059 8.091 1.00 0.00 C ATOM 262 CG GLU A 17 -5.971 -0.719 7.477 1.00 0.00 C ATOM 263 CD GLU A 17 -5.988 0.394 8.527 1.00 0.00 C ATOM 264 OE1 GLU A 17 -5.407 0.161 9.610 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.581 1.451 8.223 1.00 0.00 O ATOM 0 H GLU A 17 -6.830 -3.376 5.935 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.476 -2.867 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.431 -2.259 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.294 -2.009 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.973 -0.803 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.648 -0.465 6.662 1.00 0.00 H new ATOM 272 N LYS A 18 -5.570 -5.598 7.768 1.00 0.00 N ATOM 273 CA LYS A 18 -5.685 -6.869 8.465 1.00 0.00 C ATOM 274 C LYS A 18 -4.412 -7.686 8.239 1.00 0.00 C ATOM 275 O LYS A 18 -4.271 -8.784 8.777 1.00 0.00 O ATOM 276 CB LYS A 18 -6.965 -7.595 8.046 1.00 0.00 C ATOM 277 CG LYS A 18 -7.611 -8.298 9.241 1.00 0.00 C ATOM 278 CD LYS A 18 -8.856 -7.545 9.714 1.00 0.00 C ATOM 279 CE LYS A 18 -8.603 -6.855 11.056 1.00 0.00 C ATOM 280 NZ LYS A 18 -9.700 -5.913 11.370 1.00 0.00 N ATOM 0 H LYS A 18 -5.424 -5.676 6.762 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.774 -6.708 9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.668 -6.882 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.736 -8.325 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.881 -9.317 8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.892 -8.369 10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.142 -6.803 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.691 -8.239 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.520 -7.602 11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.654 -6.319 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.512 -5.454 12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.761 -5.190 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.599 -6.433 11.422 1.00 0.00 H new ATOM 294 N ILE A 19 -3.516 -7.121 7.443 1.00 0.00 N ATOM 295 CA ILE A 19 -2.260 -7.784 7.140 1.00 0.00 C ATOM 296 C ILE A 19 -1.228 -7.427 8.212 1.00 0.00 C ATOM 297 O ILE A 19 -0.992 -6.251 8.485 1.00 0.00 O ATOM 298 CB ILE A 19 -1.808 -7.452 5.716 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.938 -7.691 4.713 1.00 0.00 C ATOM 300 CG2 ILE A 19 -0.540 -8.225 5.349 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.997 -6.568 3.676 1.00 0.00 C ATOM 0 H ILE A 19 -3.636 -6.211 6.999 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.385 -8.866 7.165 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.560 -6.391 5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.787 -8.647 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.890 -7.754 5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.240 -7.971 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.260 -7.960 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.735 -9.295 5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.809 -6.762 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.172 -5.617 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.052 -6.523 3.134 1.00 0.00 H new ATOM 313 N ARG A 20 -0.641 -8.464 8.791 1.00 0.00 N ATOM 314 CA ARG A 20 0.360 -8.274 9.827 1.00 0.00 C ATOM 315 C ARG A 20 1.763 -8.270 9.216 1.00 0.00 C ATOM 316 O ARG A 20 2.073 -9.097 8.360 1.00 0.00 O ATOM 317 CB ARG A 20 0.276 -9.378 10.884 1.00 0.00 C ATOM 318 CG ARG A 20 0.573 -10.748 10.271 1.00 0.00 C ATOM 319 CD ARG A 20 0.584 -11.838 11.345 1.00 0.00 C ATOM 320 NE ARG A 20 -0.779 -12.388 11.521 1.00 0.00 N ATOM 321 CZ ARG A 20 -1.135 -13.204 12.521 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.233 -13.571 13.442 1.00 0.00 N ATOM 323 NH2 ARG A 20 -2.395 -13.655 12.603 1.00 0.00 N ATOM 0 H ARG A 20 -0.839 -9.438 8.563 1.00 0.00 H new ATOM 0 HA ARG A 20 0.164 -7.314 10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.985 -9.173 11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.718 -9.383 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.178 -10.983 9.517 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.538 -10.722 9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.272 -12.634 11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.944 -11.427 12.288 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.491 -12.129 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.726 -13.229 13.382 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.505 -14.193 14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.083 -13.376 11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.666 -14.277 13.365 1.00 0.00 H new ATOM 337 N LEU A 21 2.573 -7.330 9.680 1.00 0.00 N ATOM 338 CA LEU A 21 3.936 -7.208 9.190 1.00 0.00 C ATOM 339 C LEU A 21 4.747 -8.425 9.640 1.00 0.00 C ATOM 340 O LEU A 21 5.547 -8.959 8.874 1.00 0.00 O ATOM 341 CB LEU A 21 4.542 -5.871 9.620 1.00 0.00 C ATOM 342 CG LEU A 21 3.567 -4.697 9.733 1.00 0.00 C ATOM 343 CD1 LEU A 21 4.315 -3.364 9.771 1.00 0.00 C ATOM 344 CD2 LEU A 21 2.527 -4.739 8.612 1.00 0.00 C ATOM 0 H LEU A 21 2.312 -6.646 10.390 1.00 0.00 H new ATOM 0 HA LEU A 21 3.950 -7.202 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.027 -6.009 10.586 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.322 -5.602 8.907 1.00 0.00 H new ATOM 0 HG LEU A 21 3.028 -4.790 10.676 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.598 -2.547 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.984 -3.346 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.897 -3.247 8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.846 -3.894 8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.030 -4.684 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.962 -5.669 8.674 1.00 0.00 H new ATOM 356 N ARG A 22 4.511 -8.827 10.880 1.00 0.00 N ATOM 357 CA ARG A 22 5.210 -9.970 11.441 1.00 0.00 C ATOM 358 C ARG A 22 4.229 -11.112 11.711 1.00 0.00 C ATOM 359 O ARG A 22 3.047 -10.874 11.963 1.00 0.00 O ATOM 360 CB ARG A 22 5.919 -9.598 12.745 1.00 0.00 C ATOM 361 CG ARG A 22 7.136 -8.712 12.474 1.00 0.00 C ATOM 362 CD ARG A 22 8.398 -9.305 13.104 1.00 0.00 C ATOM 363 NE ARG A 22 9.602 -8.695 12.496 1.00 0.00 N ATOM 364 CZ ARG A 22 10.858 -9.037 12.814 1.00 0.00 C ATOM 365 NH1 ARG A 22 11.082 -9.985 13.733 1.00 0.00 N ATOM 366 NH2 ARG A 22 11.890 -8.431 12.211 1.00 0.00 N ATOM 0 H ARG A 22 3.846 -8.382 11.512 1.00 0.00 H new ATOM 0 HA ARG A 22 5.956 -10.291 10.714 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.225 -9.077 13.405 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.233 -10.504 13.264 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.279 -8.603 11.399 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.960 -7.714 12.875 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.395 -9.129 14.180 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.414 -10.385 12.958 1.00 0.00 H new ATOM 0 HE ARG A 22 9.467 -7.970 11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.296 -10.447 14.191 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.038 -10.245 13.975 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.719 -7.710 11.510 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.846 -8.691 12.453 1.00 0.00 H new ATOM 380 N PRO A 23 4.766 -12.360 11.647 1.00 0.00 N ATOM 381 CA PRO A 23 3.950 -13.539 11.882 1.00 0.00 C ATOM 382 C PRO A 23 3.647 -13.709 13.371 1.00 0.00 C ATOM 383 O PRO A 23 2.555 -14.138 13.742 1.00 0.00 O ATOM 384 CB PRO A 23 4.753 -14.694 11.304 1.00 0.00 C ATOM 385 CG PRO A 23 6.182 -14.190 11.187 1.00 0.00 C ATOM 386 CD PRO A 23 6.159 -12.679 11.351 1.00 0.00 C ATOM 0 HA PRO A 23 2.971 -13.474 11.407 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.699 -15.570 11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.363 -14.992 10.331 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.812 -14.647 11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.605 -14.463 10.220 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.819 -12.358 12.157 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.496 -12.177 10.444 1.00 0.00 H new ATOM 394 N GLY A 24 4.632 -13.362 14.186 1.00 0.00 N ATOM 395 CA GLY A 24 4.483 -13.469 15.628 1.00 0.00 C ATOM 396 C GLY A 24 4.061 -12.132 16.238 1.00 0.00 C ATOM 397 O GLY A 24 3.656 -12.074 17.398 1.00 0.00 O ATOM 0 H GLY A 24 5.536 -13.007 13.876 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.740 -14.231 15.864 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.425 -13.793 16.071 1.00 0.00 H new ATOM 401 N GLY A 25 4.168 -11.089 15.429 1.00 0.00 N ATOM 402 CA GLY A 25 3.802 -9.755 15.874 1.00 0.00 C ATOM 403 C GLY A 25 2.313 -9.489 15.644 1.00 0.00 C ATOM 404 O GLY A 25 1.567 -10.396 15.275 1.00 0.00 O ATOM 0 H GLY A 25 4.503 -11.140 14.467 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.035 -9.644 16.933 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.394 -9.014 15.338 1.00 0.00 H new ATOM 408 N LYS A 26 1.924 -8.243 15.873 1.00 0.00 N ATOM 409 CA LYS A 26 0.537 -7.848 15.696 1.00 0.00 C ATOM 410 C LYS A 26 0.485 -6.429 15.128 1.00 0.00 C ATOM 411 O LYS A 26 -0.220 -5.570 15.657 1.00 0.00 O ATOM 412 CB LYS A 26 -0.239 -8.016 17.004 1.00 0.00 C ATOM 413 CG LYS A 26 -1.647 -8.553 16.740 1.00 0.00 C ATOM 414 CD LYS A 26 -2.662 -7.920 17.694 1.00 0.00 C ATOM 415 CE LYS A 26 -3.348 -6.716 17.047 1.00 0.00 C ATOM 416 NZ LYS A 26 -4.508 -6.282 17.858 1.00 0.00 N ATOM 0 H LYS A 26 2.545 -7.494 16.179 1.00 0.00 H new ATOM 0 HA LYS A 26 0.044 -8.499 14.974 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.297 -8.698 17.664 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.302 -7.058 17.520 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.932 -8.345 15.709 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.656 -9.636 16.860 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.410 -8.660 17.977 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.160 -7.608 18.610 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.638 -5.895 16.949 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.677 -6.975 16.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.962 -5.464 17.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.192 -7.062 17.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.186 -6.015 18.810 1.00 0.00 H new ATOM 430 N LYS A 27 1.240 -6.225 14.059 1.00 0.00 N ATOM 431 CA LYS A 27 1.288 -4.924 13.414 1.00 0.00 C ATOM 432 C LYS A 27 0.494 -4.977 12.108 1.00 0.00 C ATOM 433 O LYS A 27 0.988 -5.470 11.096 1.00 0.00 O ATOM 434 CB LYS A 27 2.739 -4.470 13.233 1.00 0.00 C ATOM 435 CG LYS A 27 3.280 -3.840 14.519 1.00 0.00 C ATOM 436 CD LYS A 27 3.247 -2.312 14.437 1.00 0.00 C ATOM 437 CE LYS A 27 2.028 -1.752 15.173 1.00 0.00 C ATOM 438 NZ LYS A 27 1.351 -0.725 14.348 1.00 0.00 N ATOM 0 H LYS A 27 1.824 -6.939 13.623 1.00 0.00 H new ATOM 0 HA LYS A 27 0.817 -4.169 14.043 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.358 -5.322 12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.800 -3.750 12.417 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.687 -4.175 15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.302 -4.177 14.691 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.159 -1.901 14.870 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.221 -2.000 13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.332 -2.559 15.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.338 -1.317 16.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.526 -0.355 14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.013 0.053 14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.038 -1.150 13.452 1.00 0.00 H new ATOM 452 N GLN A 28 -0.726 -4.463 12.175 1.00 0.00 N ATOM 453 CA GLN A 28 -1.595 -4.446 11.010 1.00 0.00 C ATOM 454 C GLN A 28 -1.351 -3.181 10.183 1.00 0.00 C ATOM 455 O GLN A 28 -1.245 -2.087 10.734 1.00 0.00 O ATOM 456 CB GLN A 28 -3.065 -4.557 11.420 1.00 0.00 C ATOM 457 CG GLN A 28 -3.502 -3.333 12.227 1.00 0.00 C ATOM 458 CD GLN A 28 -4.226 -3.751 13.509 1.00 0.00 C ATOM 459 OE1 GLN A 28 -3.932 -4.768 14.115 1.00 0.00 O ATOM 460 NE2 GLN A 28 -5.185 -2.911 13.888 1.00 0.00 N ATOM 0 H GLN A 28 -1.133 -4.056 13.017 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.358 -5.312 10.392 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.688 -4.652 10.531 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.214 -5.460 12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.630 -2.728 12.478 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.159 -2.709 11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.380 -2.077 13.335 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.725 -3.101 14.732 1.00 0.00 H new ATOM 469 N TYR A 29 -1.268 -3.375 8.876 1.00 0.00 N ATOM 470 CA TYR A 29 -1.039 -2.264 7.968 1.00 0.00 C ATOM 471 C TYR A 29 -2.125 -1.197 8.120 1.00 0.00 C ATOM 472 O TYR A 29 -3.201 -1.473 8.647 1.00 0.00 O ATOM 473 CB TYR A 29 -1.110 -2.850 6.556 1.00 0.00 C ATOM 474 CG TYR A 29 0.242 -3.302 6.001 1.00 0.00 C ATOM 475 CD1 TYR A 29 0.716 -4.567 6.282 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.988 -2.444 5.218 1.00 0.00 C ATOM 477 CE1 TYR A 29 1.988 -4.993 5.759 1.00 0.00 C ATOM 478 CE2 TYR A 29 2.260 -2.870 4.695 1.00 0.00 C ATOM 479 CZ TYR A 29 2.698 -4.123 4.991 1.00 0.00 C ATOM 480 OH TYR A 29 3.900 -4.524 4.498 1.00 0.00 O ATOM 0 H TYR A 29 -1.355 -4.285 8.423 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.079 -1.791 8.176 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.792 -3.700 6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.535 -2.104 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.132 -5.238 6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.618 -1.454 4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.370 -5.981 5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.853 -2.209 4.081 1.00 0.00 H new ATOM 0 HH TYR A 29 4.327 -3.777 4.030 1.00 0.00 H new ATOM 490 N LYS A 30 -1.805 -0.001 7.650 1.00 0.00 N ATOM 491 CA LYS A 30 -2.740 1.108 7.727 1.00 0.00 C ATOM 492 C LYS A 30 -2.321 2.194 6.734 1.00 0.00 C ATOM 493 O LYS A 30 -1.356 2.021 5.990 1.00 0.00 O ATOM 494 CB LYS A 30 -2.861 1.607 9.168 1.00 0.00 C ATOM 495 CG LYS A 30 -1.521 2.140 9.679 1.00 0.00 C ATOM 496 CD LYS A 30 -1.184 1.551 11.050 1.00 0.00 C ATOM 497 CE LYS A 30 -2.061 2.165 12.142 1.00 0.00 C ATOM 498 NZ LYS A 30 -3.099 1.203 12.576 1.00 0.00 N ATOM 0 H LYS A 30 -0.911 0.225 7.214 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.740 0.783 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.614 2.394 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.202 0.795 9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.732 1.892 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.560 3.227 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.325 0.470 11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.134 1.731 11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.444 2.452 12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.533 3.074 11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.528 1.532 13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.833 1.130 11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.666 0.269 12.726 1.00 0.00 H new ATOM 512 N LEU A 31 -3.066 3.289 6.754 1.00 0.00 N ATOM 513 CA LEU A 31 -2.783 4.402 5.863 1.00 0.00 C ATOM 514 C LEU A 31 -1.364 4.912 6.126 1.00 0.00 C ATOM 515 O LEU A 31 -0.782 5.598 5.287 1.00 0.00 O ATOM 516 CB LEU A 31 -3.859 5.482 5.999 1.00 0.00 C ATOM 517 CG LEU A 31 -4.419 6.039 4.688 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.335 6.774 3.897 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.081 4.934 3.862 1.00 0.00 C ATOM 0 H LEU A 31 -3.865 3.430 7.373 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.818 4.077 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.686 5.072 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.445 6.310 6.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.192 6.769 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.759 7.160 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.949 7.602 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.523 6.085 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.471 5.356 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.346 4.164 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.899 4.494 4.432 1.00 0.00 H new ATOM 531 N LYS A 32 -0.849 4.556 7.292 1.00 0.00 N ATOM 532 CA LYS A 32 0.491 4.968 7.676 1.00 0.00 C ATOM 533 C LYS A 32 1.514 4.248 6.794 1.00 0.00 C ATOM 534 O LYS A 32 2.451 4.866 6.293 1.00 0.00 O ATOM 535 CB LYS A 32 0.711 4.751 9.175 1.00 0.00 C ATOM 536 CG LYS A 32 1.914 5.553 9.674 1.00 0.00 C ATOM 537 CD LYS A 32 2.835 4.684 10.531 1.00 0.00 C ATOM 538 CE LYS A 32 4.274 5.202 10.490 1.00 0.00 C ATOM 539 NZ LYS A 32 5.011 4.594 9.359 1.00 0.00 N ATOM 0 H LYS A 32 -1.335 3.986 7.985 1.00 0.00 H new ATOM 0 HA LYS A 32 0.622 6.037 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.182 5.049 9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.869 3.691 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.469 5.949 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.570 6.408 10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.477 4.675 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.805 3.655 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.273 6.287 10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.778 4.968 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.986 4.956 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.027 3.560 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.538 4.838 8.465 1.00 0.00 H new ATOM 553 N HIS A 33 1.298 2.950 6.633 1.00 0.00 N ATOM 554 CA HIS A 33 2.189 2.139 5.820 1.00 0.00 C ATOM 555 C HIS A 33 2.000 2.492 4.343 1.00 0.00 C ATOM 556 O HIS A 33 2.966 2.535 3.583 1.00 0.00 O ATOM 557 CB HIS A 33 1.980 0.651 6.106 1.00 0.00 C ATOM 558 CG HIS A 33 2.103 0.281 7.564 1.00 0.00 C ATOM 559 ND1 HIS A 33 2.075 -1.028 8.011 1.00 0.00 N ATOM 560 CD2 HIS A 33 2.258 1.064 8.671 1.00 0.00 C ATOM 561 CE1 HIS A 33 2.206 -1.023 9.330 1.00 0.00 C ATOM 562 NE2 HIS A 33 2.319 0.274 9.737 1.00 0.00 N ATOM 0 H HIS A 33 0.520 2.441 7.051 1.00 0.00 H new ATOM 0 HA HIS A 33 3.225 2.357 6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.992 0.359 5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.708 0.076 5.534 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.971 -1.856 7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.320 2.142 8.679 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.221 -1.893 9.970 1.00 0.00 H new ATOM 571 N ILE A 34 0.749 2.735 3.980 1.00 0.00 N ATOM 572 CA ILE A 34 0.422 3.083 2.609 1.00 0.00 C ATOM 573 C ILE A 34 1.020 4.451 2.277 1.00 0.00 C ATOM 574 O ILE A 34 1.515 4.665 1.172 1.00 0.00 O ATOM 575 CB ILE A 34 -1.089 3.000 2.381 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.566 1.546 2.388 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.490 3.729 1.097 1.00 0.00 C ATOM 578 CD1 ILE A 34 -3.060 1.458 2.070 1.00 0.00 C ATOM 0 H ILE A 34 -0.050 2.698 4.613 1.00 0.00 H new ATOM 0 HA ILE A 34 0.865 2.366 1.918 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.588 3.506 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.000 0.970 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.371 1.100 3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.569 3.655 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.205 4.778 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.983 3.274 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.374 0.414 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.625 2.015 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.248 1.883 1.084 1.00 0.00 H new ATOM 590 N VAL A 35 0.954 5.343 3.255 1.00 0.00 N ATOM 591 CA VAL A 35 1.484 6.684 3.081 1.00 0.00 C ATOM 592 C VAL A 35 3.003 6.612 2.920 1.00 0.00 C ATOM 593 O VAL A 35 3.576 7.303 2.079 1.00 0.00 O ATOM 594 CB VAL A 35 1.047 7.574 4.246 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.008 8.751 4.427 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.390 8.064 4.055 1.00 0.00 C ATOM 0 H VAL A 35 0.541 5.163 4.170 1.00 0.00 H new ATOM 0 HA VAL A 35 1.084 7.138 2.174 1.00 0.00 H new ATOM 0 HB VAL A 35 1.077 6.973 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.675 9.368 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.010 8.374 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.025 9.350 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.674 8.694 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.459 8.640 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.062 7.208 3.999 1.00 0.00 H new ATOM 606 N TRP A 36 3.613 5.769 3.740 1.00 0.00 N ATOM 607 CA TRP A 36 5.055 5.597 3.701 1.00 0.00 C ATOM 608 C TRP A 36 5.424 5.019 2.334 1.00 0.00 C ATOM 609 O TRP A 36 6.326 5.522 1.665 1.00 0.00 O ATOM 610 CB TRP A 36 5.537 4.731 4.866 1.00 0.00 C ATOM 611 CG TRP A 36 7.033 4.408 4.825 1.00 0.00 C ATOM 612 CD1 TRP A 36 8.064 5.252 4.961 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.625 3.107 4.626 1.00 0.00 C ATOM 614 NE1 TRP A 36 9.273 4.594 4.866 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.997 3.248 4.657 1.00 0.00 C ATOM 616 CE3 TRP A 36 7.021 1.852 4.430 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.882 2.175 4.496 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.918 0.789 4.270 1.00 0.00 C ATOM 619 CH2 TRP A 36 9.303 0.916 4.298 1.00 0.00 C ATOM 0 H TRP A 36 3.134 5.197 4.436 1.00 0.00 H new ATOM 0 HA TRP A 36 5.561 6.555 3.823 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.312 5.242 5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.974 3.798 4.868 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.962 6.315 5.125 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.198 5.017 4.936 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.950 1.719 4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.953 2.311 4.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.506 -0.197 4.114 1.00 0.00 H new ATOM 0 HH2 TRP A 36 9.930 0.046 4.167 1.00 0.00 H new ATOM 630 N ALA A 37 4.709 3.968 1.959 1.00 0.00 N ATOM 631 CA ALA A 37 4.951 3.315 0.683 1.00 0.00 C ATOM 632 C ALA A 37 4.757 4.327 -0.448 1.00 0.00 C ATOM 633 O ALA A 37 5.522 4.342 -1.411 1.00 0.00 O ATOM 634 CB ALA A 37 4.026 2.104 0.546 1.00 0.00 C ATOM 0 H ALA A 37 3.962 3.553 2.516 1.00 0.00 H new ATOM 0 HA ALA A 37 5.977 2.950 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.207 1.614 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.223 1.402 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.988 2.432 0.595 1.00 0.00 H new ATOM 640 N SER A 38 3.730 5.149 -0.293 1.00 0.00 N ATOM 641 CA SER A 38 3.425 6.162 -1.290 1.00 0.00 C ATOM 642 C SER A 38 4.581 7.160 -1.390 1.00 0.00 C ATOM 643 O SER A 38 4.932 7.601 -2.484 1.00 0.00 O ATOM 644 CB SER A 38 2.122 6.890 -0.956 1.00 0.00 C ATOM 645 OG SER A 38 1.577 7.557 -2.090 1.00 0.00 O ATOM 0 H SER A 38 3.098 5.135 0.508 1.00 0.00 H new ATOM 0 HA SER A 38 3.295 5.667 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.395 6.174 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.305 7.615 -0.163 1.00 0.00 H new ATOM 0 HG SER A 38 0.745 8.008 -1.836 1.00 0.00 H new ATOM 651 N ARG A 39 5.139 7.489 -0.234 1.00 0.00 N ATOM 652 CA ARG A 39 6.247 8.427 -0.178 1.00 0.00 C ATOM 653 C ARG A 39 7.456 7.867 -0.931 1.00 0.00 C ATOM 654 O ARG A 39 8.118 8.589 -1.674 1.00 0.00 O ATOM 655 CB ARG A 39 6.647 8.721 1.269 1.00 0.00 C ATOM 656 CG ARG A 39 6.409 10.191 1.616 1.00 0.00 C ATOM 657 CD ARG A 39 7.340 10.648 2.741 1.00 0.00 C ATOM 658 NE ARG A 39 6.549 11.235 3.845 1.00 0.00 N ATOM 659 CZ ARG A 39 6.994 11.363 5.103 1.00 0.00 C ATOM 660 NH1 ARG A 39 8.226 10.945 5.423 1.00 0.00 N ATOM 661 NH2 ARG A 39 6.207 11.908 6.040 1.00 0.00 N ATOM 0 H ARG A 39 4.844 7.123 0.671 1.00 0.00 H new ATOM 0 HA ARG A 39 5.920 9.354 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.073 8.087 1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.698 8.475 1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.571 10.808 0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.371 10.333 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.922 9.803 3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.050 11.382 2.361 1.00 0.00 H new ATOM 0 HE ARG A 39 5.606 11.563 3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.825 10.530 4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.565 11.042 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.269 12.226 5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.546 12.005 6.997 1.00 0.00 H new ATOM 675 N GLU A 40 7.707 6.584 -0.711 1.00 0.00 N ATOM 676 CA GLU A 40 8.824 5.920 -1.359 1.00 0.00 C ATOM 677 C GLU A 40 8.581 5.818 -2.866 1.00 0.00 C ATOM 678 O GLU A 40 9.463 6.130 -3.664 1.00 0.00 O ATOM 679 CB GLU A 40 9.069 4.538 -0.749 1.00 0.00 C ATOM 680 CG GLU A 40 10.556 4.180 -0.780 1.00 0.00 C ATOM 681 CD GLU A 40 11.068 3.842 0.622 1.00 0.00 C ATOM 682 OE1 GLU A 40 11.233 4.798 1.410 1.00 0.00 O ATOM 683 OE2 GLU A 40 11.283 2.638 0.873 1.00 0.00 O ATOM 0 H GLU A 40 7.156 5.988 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 40 9.720 6.518 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.709 4.522 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.499 3.788 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.715 3.330 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.126 5.015 -1.188 1.00 0.00 H new ATOM 690 N LEU A 41 7.378 5.381 -3.211 1.00 0.00 N ATOM 691 CA LEU A 41 7.007 5.235 -4.608 1.00 0.00 C ATOM 692 C LEU A 41 7.158 6.583 -5.315 1.00 0.00 C ATOM 693 O LEU A 41 7.737 6.659 -6.397 1.00 0.00 O ATOM 694 CB LEU A 41 5.607 4.630 -4.730 1.00 0.00 C ATOM 695 CG LEU A 41 5.519 3.109 -4.602 1.00 0.00 C ATOM 696 CD1 LEU A 41 4.406 2.702 -3.634 1.00 0.00 C ATOM 697 CD2 LEU A 41 5.354 2.452 -5.974 1.00 0.00 C ATOM 0 H LEU A 41 6.648 5.123 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 41 7.676 4.535 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.972 5.076 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.192 4.918 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 41 6.458 2.748 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.366 1.615 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.608 3.124 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.450 3.077 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.294 1.370 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.441 2.816 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.210 2.701 -6.602 1.00 0.00 H new ATOM 709 N GLU A 42 6.628 7.615 -4.674 1.00 0.00 N ATOM 710 CA GLU A 42 6.697 8.956 -5.229 1.00 0.00 C ATOM 711 C GLU A 42 8.151 9.427 -5.300 1.00 0.00 C ATOM 712 O GLU A 42 8.523 10.171 -6.205 1.00 0.00 O ATOM 713 CB GLU A 42 5.845 9.930 -4.413 1.00 0.00 C ATOM 714 CG GLU A 42 5.641 11.245 -5.169 1.00 0.00 C ATOM 715 CD GLU A 42 6.662 12.296 -4.724 1.00 0.00 C ATOM 716 OE1 GLU A 42 6.805 12.463 -3.495 1.00 0.00 O ATOM 717 OE2 GLU A 42 7.274 12.908 -5.625 1.00 0.00 O ATOM 0 H GLU A 42 6.149 7.549 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 42 6.294 8.931 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.878 9.478 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.328 10.128 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.736 11.071 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.631 11.616 -4.994 1.00 0.00 H new ATOM 724 N ARG A 43 8.934 8.972 -4.332 1.00 0.00 N ATOM 725 CA ARG A 43 10.340 9.338 -4.274 1.00 0.00 C ATOM 726 C ARG A 43 11.139 8.542 -5.308 1.00 0.00 C ATOM 727 O ARG A 43 12.242 8.935 -5.682 1.00 0.00 O ATOM 728 CB ARG A 43 10.919 9.078 -2.881 1.00 0.00 C ATOM 729 CG ARG A 43 12.144 9.957 -2.625 1.00 0.00 C ATOM 730 CD ARG A 43 12.976 9.412 -1.462 1.00 0.00 C ATOM 731 NE ARG A 43 13.592 8.121 -1.841 1.00 0.00 N ATOM 732 CZ ARG A 43 14.457 7.447 -1.073 1.00 0.00 C ATOM 733 NH1 ARG A 43 14.815 7.936 0.122 1.00 0.00 N ATOM 734 NH2 ARG A 43 14.966 6.282 -1.498 1.00 0.00 N ATOM 0 H ARG A 43 8.622 8.354 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 43 10.415 10.403 -4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.160 9.277 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.195 8.028 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.757 10.004 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.825 10.976 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.751 10.129 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.345 9.279 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 43 13.342 7.719 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.428 8.822 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.474 7.422 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.694 5.908 -2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.625 5.769 -0.912 1.00 0.00 H new ATOM 748 N PHE A 44 10.550 7.436 -5.739 1.00 0.00 N ATOM 749 CA PHE A 44 11.193 6.581 -6.722 1.00 0.00 C ATOM 750 C PHE A 44 10.923 7.078 -8.143 1.00 0.00 C ATOM 751 O PHE A 44 11.508 6.578 -9.102 1.00 0.00 O ATOM 752 CB PHE A 44 10.592 5.183 -6.561 1.00 0.00 C ATOM 753 CG PHE A 44 11.437 4.237 -5.704 1.00 0.00 C ATOM 754 CD1 PHE A 44 12.770 4.112 -5.942 1.00 0.00 C ATOM 755 CD2 PHE A 44 10.854 3.522 -4.705 1.00 0.00 C ATOM 756 CE1 PHE A 44 13.554 3.235 -5.148 1.00 0.00 C ATOM 757 CE2 PHE A 44 11.638 2.644 -3.911 1.00 0.00 C ATOM 758 CZ PHE A 44 12.971 2.518 -4.149 1.00 0.00 C ATOM 0 H PHE A 44 9.635 7.113 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 44 12.272 6.581 -6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.602 5.274 -6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.458 4.740 -7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.232 4.680 -6.736 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.795 3.622 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.613 3.137 -5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.175 2.076 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.567 1.849 -3.545 1.00 0.00 H new ATOM 768 N ALA A 45 10.035 8.058 -8.233 1.00 0.00 N ATOM 769 CA ALA A 45 9.680 8.630 -9.521 1.00 0.00 C ATOM 770 C ALA A 45 8.607 7.760 -10.181 1.00 0.00 C ATOM 771 O ALA A 45 8.628 7.556 -11.394 1.00 0.00 O ATOM 772 CB ALA A 45 10.935 8.763 -10.385 1.00 0.00 C ATOM 0 H ALA A 45 9.551 8.470 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 45 9.264 9.630 -9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.668 9.192 -11.351 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.653 9.413 -9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.379 7.779 -10.535 1.00 0.00 H new ATOM 778 N VAL A 46 7.694 7.272 -9.354 1.00 0.00 N ATOM 779 CA VAL A 46 6.616 6.430 -9.843 1.00 0.00 C ATOM 780 C VAL A 46 5.275 7.027 -9.414 1.00 0.00 C ATOM 781 O VAL A 46 5.175 7.642 -8.352 1.00 0.00 O ATOM 782 CB VAL A 46 6.813 4.993 -9.356 1.00 0.00 C ATOM 783 CG1 VAL A 46 6.501 4.871 -7.863 1.00 0.00 C ATOM 784 CG2 VAL A 46 5.967 4.016 -10.175 1.00 0.00 C ATOM 0 H VAL A 46 7.679 7.444 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 46 6.623 6.394 -10.932 1.00 0.00 H new ATOM 0 HB VAL A 46 7.861 4.731 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.649 3.839 -7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.165 5.525 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.466 5.162 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.125 3.002 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.913 4.277 -10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.259 4.073 -11.224 1.00 0.00 H new ATOM 794 N ASN A 47 4.275 6.825 -10.260 1.00 0.00 N ATOM 795 CA ASN A 47 2.943 7.335 -9.982 1.00 0.00 C ATOM 796 C ASN A 47 2.276 6.456 -8.922 1.00 0.00 C ATOM 797 O ASN A 47 2.256 5.234 -9.048 1.00 0.00 O ATOM 798 CB ASN A 47 2.070 7.308 -11.237 1.00 0.00 C ATOM 799 CG ASN A 47 1.142 8.524 -11.287 1.00 0.00 C ATOM 800 OD1 ASN A 47 -0.057 8.430 -11.090 1.00 0.00 O ATOM 801 ND2 ASN A 47 1.764 9.667 -11.559 1.00 0.00 N ATOM 0 H ASN A 47 4.361 6.315 -11.139 1.00 0.00 H new ATOM 0 HA ASN A 47 3.041 8.363 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.703 7.293 -12.124 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.478 6.393 -11.252 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.233 10.536 -11.613 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.772 9.675 -11.714 1.00 0.00 H new ATOM 808 N PRO A 48 1.732 7.132 -7.875 1.00 0.00 N ATOM 809 CA PRO A 48 1.065 6.426 -6.794 1.00 0.00 C ATOM 810 C PRO A 48 -0.313 5.927 -7.233 1.00 0.00 C ATOM 811 O PRO A 48 -0.698 4.800 -6.923 1.00 0.00 O ATOM 812 CB PRO A 48 0.998 7.427 -5.652 1.00 0.00 C ATOM 813 CG PRO A 48 1.208 8.794 -6.283 1.00 0.00 C ATOM 814 CD PRO A 48 1.737 8.580 -7.693 1.00 0.00 C ATOM 0 HA PRO A 48 1.599 5.527 -6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.035 7.375 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.765 7.220 -4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.272 9.351 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.914 9.381 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.106 9.074 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.741 8.990 -7.806 1.00 0.00 H new ATOM 822 N GLY A 49 -1.020 6.790 -7.948 1.00 0.00 N ATOM 823 CA GLY A 49 -2.347 6.451 -8.433 1.00 0.00 C ATOM 824 C GLY A 49 -2.296 5.239 -9.365 1.00 0.00 C ATOM 825 O GLY A 49 -3.150 4.357 -9.289 1.00 0.00 O ATOM 0 H GLY A 49 -0.699 7.724 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.003 6.238 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.774 7.303 -8.962 1.00 0.00 H new ATOM 829 N LEU A 50 -1.288 5.235 -10.224 1.00 0.00 N ATOM 830 CA LEU A 50 -1.116 4.146 -11.171 1.00 0.00 C ATOM 831 C LEU A 50 -0.678 2.888 -10.419 1.00 0.00 C ATOM 832 O LEU A 50 -0.682 1.793 -10.980 1.00 0.00 O ATOM 833 CB LEU A 50 -0.159 4.557 -12.292 1.00 0.00 C ATOM 834 CG LEU A 50 1.299 4.127 -12.121 1.00 0.00 C ATOM 835 CD1 LEU A 50 1.440 2.608 -12.240 1.00 0.00 C ATOM 836 CD2 LEU A 50 2.208 4.866 -13.106 1.00 0.00 C ATOM 0 H LEU A 50 -0.582 5.968 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.062 3.913 -11.660 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.531 4.144 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.188 5.642 -12.388 1.00 0.00 H new ATOM 0 HG LEU A 50 1.621 4.403 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.486 2.329 -12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.841 2.125 -11.468 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.094 2.286 -13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.239 4.542 -12.963 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.896 4.644 -14.126 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.138 5.940 -12.931 1.00 0.00 H new ATOM 848 N LEU A 51 -0.310 3.086 -9.162 1.00 0.00 N ATOM 849 CA LEU A 51 0.130 1.980 -8.328 1.00 0.00 C ATOM 850 C LEU A 51 -1.090 1.306 -7.699 1.00 0.00 C ATOM 851 O LEU A 51 -0.953 0.330 -6.961 1.00 0.00 O ATOM 852 CB LEU A 51 1.164 2.458 -7.307 1.00 0.00 C ATOM 853 CG LEU A 51 1.066 1.837 -5.912 1.00 0.00 C ATOM 854 CD1 LEU A 51 1.608 0.407 -5.909 1.00 0.00 C ATOM 855 CD2 LEU A 51 1.761 2.717 -4.870 1.00 0.00 C ATOM 0 H LEU A 51 -0.307 3.996 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 51 0.636 1.226 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.158 2.255 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.075 3.540 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 51 0.013 1.782 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.527 -0.011 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.030 -0.203 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.654 0.414 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.677 2.253 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.814 2.827 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.288 3.699 -4.849 1.00 0.00 H new ATOM 867 N GLU A 52 -2.256 1.851 -8.011 1.00 0.00 N ATOM 868 CA GLU A 52 -3.499 1.314 -7.485 1.00 0.00 C ATOM 869 C GLU A 52 -3.884 0.036 -8.234 1.00 0.00 C ATOM 870 O GLU A 52 -4.663 -0.772 -7.730 1.00 0.00 O ATOM 871 CB GLU A 52 -4.621 2.352 -7.561 1.00 0.00 C ATOM 872 CG GLU A 52 -5.070 2.568 -9.007 1.00 0.00 C ATOM 873 CD GLU A 52 -5.714 3.946 -9.181 1.00 0.00 C ATOM 874 OE1 GLU A 52 -5.329 4.853 -8.411 1.00 0.00 O ATOM 875 OE2 GLU A 52 -6.575 4.061 -10.079 1.00 0.00 O ATOM 0 H GLU A 52 -2.366 2.660 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.349 1.066 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.468 2.022 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.277 3.296 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.214 2.476 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.781 1.792 -9.291 1.00 0.00 H new ATOM 882 N THR A 53 -3.319 -0.108 -9.423 1.00 0.00 N ATOM 883 CA THR A 53 -3.594 -1.273 -10.247 1.00 0.00 C ATOM 884 C THR A 53 -2.605 -2.397 -9.925 1.00 0.00 C ATOM 885 O THR A 53 -1.443 -2.136 -9.618 1.00 0.00 O ATOM 886 CB THR A 53 -3.561 -0.836 -11.712 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.174 -0.689 -12.000 1.00 0.00 O ATOM 888 CG2 THR A 53 -4.135 0.567 -11.917 1.00 0.00 C ATOM 0 H THR A 53 -2.671 0.563 -9.836 1.00 0.00 H new ATOM 0 HA THR A 53 -4.583 -1.681 -10.038 1.00 0.00 H new ATOM 0 HB THR A 53 -4.122 -1.550 -12.316 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.864 0.184 -11.680 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.088 0.828 -12.974 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.173 0.588 -11.584 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.554 1.286 -11.339 1.00 0.00 H new ATOM 896 N SER A 54 -3.103 -3.621 -10.008 1.00 0.00 N ATOM 897 CA SER A 54 -2.279 -4.785 -9.732 1.00 0.00 C ATOM 898 C SER A 54 -1.049 -4.785 -10.643 1.00 0.00 C ATOM 899 O SER A 54 0.014 -5.268 -10.257 1.00 0.00 O ATOM 900 CB SER A 54 -3.074 -6.079 -9.913 1.00 0.00 C ATOM 901 OG SER A 54 -3.232 -6.421 -11.288 1.00 0.00 O ATOM 0 H SER A 54 -4.068 -3.832 -10.263 1.00 0.00 H new ATOM 0 HA SER A 54 -1.953 -4.734 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.567 -6.892 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.055 -5.969 -9.452 1.00 0.00 H new ATOM 0 HG SER A 54 -3.743 -7.254 -11.361 1.00 0.00 H new ATOM 907 N GLU A 55 -1.236 -4.237 -11.835 1.00 0.00 N ATOM 908 CA GLU A 55 -0.157 -4.168 -12.804 1.00 0.00 C ATOM 909 C GLU A 55 0.918 -3.187 -12.330 1.00 0.00 C ATOM 910 O GLU A 55 2.105 -3.513 -12.334 1.00 0.00 O ATOM 911 CB GLU A 55 -0.684 -3.778 -14.186 1.00 0.00 C ATOM 912 CG GLU A 55 0.068 -4.524 -15.290 1.00 0.00 C ATOM 913 CD GLU A 55 -0.833 -5.562 -15.963 1.00 0.00 C ATOM 914 OE1 GLU A 55 -1.913 -5.150 -16.441 1.00 0.00 O ATOM 915 OE2 GLU A 55 -0.422 -6.742 -15.985 1.00 0.00 O ATOM 0 H GLU A 55 -2.119 -3.837 -12.151 1.00 0.00 H new ATOM 0 HA GLU A 55 0.292 -5.157 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.749 -4.003 -14.250 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.576 -2.703 -14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.428 -3.813 -16.034 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.945 -5.016 -14.869 1.00 0.00 H new ATOM 922 N GLY A 56 0.465 -2.007 -11.936 1.00 0.00 N ATOM 923 CA GLY A 56 1.374 -0.976 -11.461 1.00 0.00 C ATOM 924 C GLY A 56 2.209 -1.482 -10.284 1.00 0.00 C ATOM 925 O GLY A 56 3.418 -1.265 -10.237 1.00 0.00 O ATOM 0 H GLY A 56 -0.520 -1.741 -11.935 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.033 -0.665 -12.272 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.806 -0.097 -11.157 1.00 0.00 H new ATOM 929 N CYS A 57 1.529 -2.148 -9.360 1.00 0.00 N ATOM 930 CA CYS A 57 2.193 -2.685 -8.185 1.00 0.00 C ATOM 931 C CYS A 57 3.195 -3.747 -8.644 1.00 0.00 C ATOM 932 O CYS A 57 4.312 -3.814 -8.132 1.00 0.00 O ATOM 933 CB CYS A 57 1.190 -3.246 -7.175 1.00 0.00 C ATOM 934 SG CYS A 57 1.790 -2.956 -5.471 1.00 0.00 S ATOM 0 H CYS A 57 0.526 -2.327 -9.402 1.00 0.00 H new ATOM 0 HA CYS A 57 2.723 -1.886 -7.666 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.218 -2.772 -7.313 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.050 -4.314 -7.343 1.00 0.00 H new ATOM 0 HG CYS A 57 2.086 -4.094 -4.916 1.00 0.00 H new ATOM 940 N ARG A 58 2.760 -4.550 -9.604 1.00 0.00 N ATOM 941 CA ARG A 58 3.605 -5.605 -10.136 1.00 0.00 C ATOM 942 C ARG A 58 4.867 -5.009 -10.763 1.00 0.00 C ATOM 943 O ARG A 58 5.949 -5.583 -10.652 1.00 0.00 O ATOM 944 CB ARG A 58 2.861 -6.427 -11.191 1.00 0.00 C ATOM 945 CG ARG A 58 3.708 -7.610 -11.663 1.00 0.00 C ATOM 946 CD ARG A 58 4.151 -7.423 -13.114 1.00 0.00 C ATOM 947 NE ARG A 58 3.987 -8.689 -13.863 1.00 0.00 N ATOM 948 CZ ARG A 58 4.891 -9.679 -13.871 1.00 0.00 C ATOM 949 NH1 ARG A 58 6.028 -9.554 -13.173 1.00 0.00 N ATOM 950 NH2 ARG A 58 4.657 -10.793 -14.578 1.00 0.00 N ATOM 0 H ARG A 58 1.834 -4.491 -10.027 1.00 0.00 H new ATOM 0 HA ARG A 58 3.880 -6.259 -9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.921 -6.791 -10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.610 -5.793 -12.041 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.584 -7.713 -11.022 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.135 -8.532 -11.570 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.562 -6.635 -13.583 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.193 -7.105 -13.146 1.00 0.00 H new ATOM 0 HE ARG A 58 3.133 -8.816 -14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.206 -8.706 -12.635 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.716 -10.307 -13.179 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.792 -10.887 -15.110 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.344 -11.547 -14.585 1.00 0.00 H new ATOM 964 N GLN A 59 4.687 -3.866 -11.406 1.00 0.00 N ATOM 965 CA GLN A 59 5.797 -3.185 -12.050 1.00 0.00 C ATOM 966 C GLN A 59 6.810 -2.714 -11.004 1.00 0.00 C ATOM 967 O GLN A 59 8.006 -2.974 -11.131 1.00 0.00 O ATOM 968 CB GLN A 59 5.304 -2.014 -12.902 1.00 0.00 C ATOM 969 CG GLN A 59 5.519 -2.290 -14.391 1.00 0.00 C ATOM 970 CD GLN A 59 5.995 -1.031 -15.119 1.00 0.00 C ATOM 971 OE1 GLN A 59 6.940 -0.372 -14.719 1.00 0.00 O ATOM 972 NE2 GLN A 59 5.290 -0.737 -16.208 1.00 0.00 N ATOM 0 H GLN A 59 3.788 -3.393 -11.495 1.00 0.00 H new ATOM 0 HA GLN A 59 6.293 -3.891 -12.716 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.245 -1.840 -12.710 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.833 -1.104 -12.617 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.254 -3.086 -14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.589 -2.643 -14.837 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.510 -1.332 -16.487 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.529 0.084 -16.764 1.00 0.00 H new ATOM 981 N ILE A 60 6.294 -2.031 -9.993 1.00 0.00 N ATOM 982 CA ILE A 60 7.137 -1.522 -8.925 1.00 0.00 C ATOM 983 C ILE A 60 7.869 -2.689 -8.259 1.00 0.00 C ATOM 984 O ILE A 60 9.074 -2.617 -8.024 1.00 0.00 O ATOM 985 CB ILE A 60 6.316 -0.675 -7.951 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.770 0.576 -8.640 1.00 0.00 C ATOM 987 CG2 ILE A 60 7.131 -0.333 -6.702 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.253 0.680 -8.466 1.00 0.00 C ATOM 0 H ILE A 60 5.302 -1.818 -9.891 1.00 0.00 H new ATOM 0 HA ILE A 60 7.899 -0.854 -9.327 1.00 0.00 H new ATOM 0 HB ILE A 60 5.458 -1.263 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.249 1.463 -8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.017 0.548 -9.701 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.525 0.270 -6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.430 -1.253 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.020 0.228 -6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.890 1.578 -8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.776 -0.197 -8.904 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.011 0.732 -7.404 1.00 0.00 H new ATOM 1000 N LEU A 61 7.110 -3.737 -7.974 1.00 0.00 N ATOM 1001 CA LEU A 61 7.672 -4.918 -7.340 1.00 0.00 C ATOM 1002 C LEU A 61 8.834 -5.442 -8.186 1.00 0.00 C ATOM 1003 O LEU A 61 9.877 -5.814 -7.651 1.00 0.00 O ATOM 1004 CB LEU A 61 6.580 -5.958 -7.082 1.00 0.00 C ATOM 1005 CG LEU A 61 6.279 -6.266 -5.614 1.00 0.00 C ATOM 1006 CD1 LEU A 61 5.473 -7.560 -5.479 1.00 0.00 C ATOM 1007 CD2 LEU A 61 7.566 -6.303 -4.788 1.00 0.00 C ATOM 0 H LEU A 61 6.111 -3.793 -8.170 1.00 0.00 H new ATOM 0 HA LEU A 61 8.079 -4.668 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.660 -5.615 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.867 -6.886 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 61 5.663 -5.461 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.273 -7.756 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.529 -7.459 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.042 -8.389 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.325 -6.524 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.227 -7.076 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.064 -5.335 -4.847 1.00 0.00 H new ATOM 1019 N GLY A 62 8.613 -5.456 -9.492 1.00 0.00 N ATOM 1020 CA GLY A 62 9.629 -5.929 -10.418 1.00 0.00 C ATOM 1021 C GLY A 62 10.779 -4.926 -10.529 1.00 0.00 C ATOM 1022 O GLY A 62 11.897 -5.295 -10.887 1.00 0.00 O ATOM 0 H GLY A 62 7.746 -5.148 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.013 -6.892 -10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.185 -6.089 -11.400 1.00 0.00 H new ATOM 1026 N GLN A 63 10.464 -3.677 -10.218 1.00 0.00 N ATOM 1027 CA GLN A 63 11.457 -2.618 -10.278 1.00 0.00 C ATOM 1028 C GLN A 63 12.466 -2.771 -9.139 1.00 0.00 C ATOM 1029 O GLN A 63 13.666 -2.580 -9.338 1.00 0.00 O ATOM 1030 CB GLN A 63 10.792 -1.241 -10.241 1.00 0.00 C ATOM 1031 CG GLN A 63 11.304 -0.353 -11.378 1.00 0.00 C ATOM 1032 CD GLN A 63 10.747 1.067 -11.258 1.00 0.00 C ATOM 1033 OE1 GLN A 63 9.674 1.298 -10.727 1.00 0.00 O ATOM 1034 NE2 GLN A 63 11.535 2.003 -11.781 1.00 0.00 N ATOM 0 H GLN A 63 9.535 -3.375 -9.924 1.00 0.00 H new ATOM 0 HA GLN A 63 11.992 -2.701 -11.224 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.711 -1.353 -10.321 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.992 -0.762 -9.283 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.393 -0.323 -11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.014 -0.781 -12.337 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.422 1.741 -12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.252 2.983 -11.752 1.00 0.00 H new ATOM 1043 N LEU A 64 11.945 -3.113 -7.970 1.00 0.00 N ATOM 1044 CA LEU A 64 12.785 -3.294 -6.799 1.00 0.00 C ATOM 1045 C LEU A 64 13.242 -4.752 -6.725 1.00 0.00 C ATOM 1046 O LEU A 64 14.188 -5.074 -6.008 1.00 0.00 O ATOM 1047 CB LEU A 64 12.062 -2.811 -5.541 1.00 0.00 C ATOM 1048 CG LEU A 64 11.145 -1.598 -5.717 1.00 0.00 C ATOM 1049 CD1 LEU A 64 10.553 -1.159 -4.377 1.00 0.00 C ATOM 1050 CD2 LEU A 64 11.880 -0.455 -6.422 1.00 0.00 C ATOM 0 H LEU A 64 10.950 -3.270 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 64 13.684 -2.682 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.468 -3.636 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.810 -2.569 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 64 10.311 -1.889 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.906 -0.296 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.972 -1.977 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.359 -0.891 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.207 0.395 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.744 -0.157 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.213 -0.788 -7.405 1.00 0.00 H new ATOM 1062 N GLN A 65 12.548 -5.596 -7.475 1.00 0.00 N ATOM 1063 CA GLN A 65 12.872 -7.012 -7.504 1.00 0.00 C ATOM 1064 C GLN A 65 14.387 -7.211 -7.472 1.00 0.00 C ATOM 1065 O GLN A 65 14.908 -7.914 -6.606 1.00 0.00 O ATOM 1066 CB GLN A 65 12.254 -7.690 -8.728 1.00 0.00 C ATOM 1067 CG GLN A 65 11.096 -8.604 -8.321 1.00 0.00 C ATOM 1068 CD GLN A 65 10.416 -9.208 -9.553 1.00 0.00 C ATOM 1069 OE1 GLN A 65 10.861 -9.052 -10.678 1.00 0.00 O ATOM 1070 NE2 GLN A 65 9.317 -9.905 -9.277 1.00 0.00 N ATOM 0 H GLN A 65 11.763 -5.326 -8.067 1.00 0.00 H new ATOM 0 HA GLN A 65 12.446 -7.481 -6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.897 -6.933 -9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.015 -8.271 -9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.466 -9.402 -7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.368 -8.038 -7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.000 -9.996 -8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.792 -10.348 -10.031 1.00 0.00 H new ATOM 1079 N PRO A 66 15.072 -6.565 -8.453 1.00 0.00 N ATOM 1080 CA PRO A 66 16.520 -6.664 -8.546 1.00 0.00 C ATOM 1081 C PRO A 66 17.198 -5.818 -7.467 1.00 0.00 C ATOM 1082 O PRO A 66 18.196 -6.236 -6.881 1.00 0.00 O ATOM 1083 CB PRO A 66 16.856 -6.208 -9.957 1.00 0.00 C ATOM 1084 CG PRO A 66 15.643 -5.432 -10.444 1.00 0.00 C ATOM 1085 CD PRO A 66 14.491 -5.724 -9.495 1.00 0.00 C ATOM 0 HA PRO A 66 16.884 -7.676 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.748 -5.582 -9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 66 17.060 -7.061 -10.605 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.857 -4.364 -10.467 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.384 -5.727 -11.461 1.00 0.00 H new ATOM 0 HD2 PRO A 66 14.079 -4.805 -9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.676 -6.235 -10.007 1.00 0.00 H new ATOM 1093 N SER A 67 16.629 -4.644 -7.235 1.00 0.00 N ATOM 1094 CA SER A 67 17.167 -3.736 -6.236 1.00 0.00 C ATOM 1095 C SER A 67 17.225 -4.432 -4.875 1.00 0.00 C ATOM 1096 O SER A 67 17.928 -3.979 -3.973 1.00 0.00 O ATOM 1097 CB SER A 67 16.327 -2.460 -6.145 1.00 0.00 C ATOM 1098 OG SER A 67 16.219 -1.801 -7.404 1.00 0.00 O ATOM 0 H SER A 67 15.801 -4.301 -7.722 1.00 0.00 H new ATOM 0 HA SER A 67 18.176 -3.454 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.331 -2.707 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.775 -1.782 -5.418 1.00 0.00 H new ATOM 0 HG SER A 67 15.674 -0.993 -7.304 1.00 0.00 H new ATOM 1104 N LEU A 68 16.477 -5.520 -4.769 1.00 0.00 N ATOM 1105 CA LEU A 68 16.435 -6.282 -3.532 1.00 0.00 C ATOM 1106 C LEU A 68 17.748 -7.047 -3.365 1.00 0.00 C ATOM 1107 O LEU A 68 18.281 -7.139 -2.260 1.00 0.00 O ATOM 1108 CB LEU A 68 15.192 -7.175 -3.495 1.00 0.00 C ATOM 1109 CG LEU A 68 13.853 -6.454 -3.336 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.717 -7.261 -3.970 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.575 -6.131 -1.866 1.00 0.00 C ATOM 0 H LEU A 68 15.895 -5.892 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 68 16.344 -5.614 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.161 -7.759 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.301 -7.882 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 68 13.911 -5.505 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.776 -6.726 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.917 -7.397 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.649 -8.235 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.617 -5.618 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.544 -7.056 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.366 -5.488 -1.479 1.00 0.00 H new ATOM 1123 N GLN A 69 18.233 -7.577 -4.478 1.00 0.00 N ATOM 1124 CA GLN A 69 19.474 -8.332 -4.470 1.00 0.00 C ATOM 1125 C GLN A 69 20.469 -7.707 -3.490 1.00 0.00 C ATOM 1126 O GLN A 69 21.164 -8.418 -2.766 1.00 0.00 O ATOM 1127 CB GLN A 69 20.072 -8.421 -5.875 1.00 0.00 C ATOM 1128 CG GLN A 69 21.146 -9.509 -5.946 1.00 0.00 C ATOM 1129 CD GLN A 69 20.957 -10.385 -7.187 1.00 0.00 C ATOM 1130 OE1 GLN A 69 20.670 -9.913 -8.274 1.00 0.00 O ATOM 1131 NE2 GLN A 69 21.135 -11.684 -6.963 1.00 0.00 N ATOM 0 H GLN A 69 17.788 -7.498 -5.393 1.00 0.00 H new ATOM 0 HA GLN A 69 19.256 -9.347 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.284 -8.635 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.504 -7.459 -6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 69 22.134 -9.049 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 69 21.102 -10.128 -5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 69 21.374 -12.012 -6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 69 21.032 -12.352 -7.727 1.00 0.00 H new ATOM 1140 N THR A 70 20.505 -6.382 -3.497 1.00 0.00 N ATOM 1141 CA THR A 70 21.403 -5.652 -2.619 1.00 0.00 C ATOM 1142 C THR A 70 20.759 -4.340 -2.169 1.00 0.00 C ATOM 1143 O THR A 70 21.430 -3.312 -2.083 1.00 0.00 O ATOM 1144 CB THR A 70 22.730 -5.457 -3.355 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.545 -4.753 -2.421 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.607 -4.497 -4.540 1.00 0.00 C ATOM 0 H THR A 70 19.926 -5.795 -4.098 1.00 0.00 H new ATOM 0 HA THR A 70 21.602 -6.210 -1.704 1.00 0.00 H new ATOM 0 HB THR A 70 23.095 -6.422 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 70 23.125 -3.895 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.577 -4.394 -5.027 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.883 -4.890 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 70 22.274 -3.522 -4.185 1.00 0.00 H new ATOM 1154 N GLY A 71 19.466 -4.416 -1.894 1.00 0.00 N ATOM 1155 CA GLY A 71 18.723 -3.247 -1.455 1.00 0.00 C ATOM 1156 C GLY A 71 18.931 -2.995 0.040 1.00 0.00 C ATOM 1157 O GLY A 71 19.538 -3.811 0.732 1.00 0.00 O ATOM 0 H GLY A 71 18.913 -5.270 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.044 -2.374 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.662 -3.388 -1.660 1.00 0.00 H new ATOM 1161 N SER A 72 18.414 -1.863 0.494 1.00 0.00 N ATOM 1162 CA SER A 72 18.536 -1.493 1.895 1.00 0.00 C ATOM 1163 C SER A 72 17.383 -2.102 2.697 1.00 0.00 C ATOM 1164 O SER A 72 16.445 -2.651 2.124 1.00 0.00 O ATOM 1165 CB SER A 72 18.554 0.027 2.063 1.00 0.00 C ATOM 1166 OG SER A 72 17.254 0.595 1.938 1.00 0.00 O ATOM 0 H SER A 72 17.910 -1.190 -0.083 1.00 0.00 H new ATOM 0 HA SER A 72 19.481 -1.884 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.967 0.278 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 72 19.215 0.466 1.315 1.00 0.00 H new ATOM 0 HG SER A 72 17.327 1.504 1.580 1.00 0.00 H new ATOM 1172 N GLU A 73 17.494 -1.983 4.013 1.00 0.00 N ATOM 1173 CA GLU A 73 16.473 -2.514 4.900 1.00 0.00 C ATOM 1174 C GLU A 73 15.129 -1.838 4.627 1.00 0.00 C ATOM 1175 O GLU A 73 14.096 -2.504 4.561 1.00 0.00 O ATOM 1176 CB GLU A 73 16.883 -2.350 6.366 1.00 0.00 C ATOM 1177 CG GLU A 73 17.078 -0.875 6.719 1.00 0.00 C ATOM 1178 CD GLU A 73 17.955 -0.721 7.964 1.00 0.00 C ATOM 1179 OE1 GLU A 73 19.192 -0.700 7.787 1.00 0.00 O ATOM 1180 OE2 GLU A 73 17.368 -0.627 9.063 1.00 0.00 O ATOM 0 H GLU A 73 18.275 -1.527 4.485 1.00 0.00 H new ATOM 0 HA GLU A 73 16.366 -3.581 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.120 -2.784 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.807 -2.897 6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.538 -0.354 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.109 -0.407 6.892 1.00 0.00 H new ATOM 1187 N GLU A 74 15.183 -0.523 4.478 1.00 0.00 N ATOM 1188 CA GLU A 74 13.982 0.251 4.215 1.00 0.00 C ATOM 1189 C GLU A 74 13.431 -0.080 2.826 1.00 0.00 C ATOM 1190 O GLU A 74 12.221 -0.216 2.651 1.00 0.00 O ATOM 1191 CB GLU A 74 14.254 1.750 4.353 1.00 0.00 C ATOM 1192 CG GLU A 74 15.328 2.207 3.363 1.00 0.00 C ATOM 1193 CD GLU A 74 15.550 3.718 3.452 1.00 0.00 C ATOM 1194 OE1 GLU A 74 15.702 4.202 4.594 1.00 0.00 O ATOM 1195 OE2 GLU A 74 15.562 4.355 2.376 1.00 0.00 O ATOM 0 H GLU A 74 16.040 0.027 4.534 1.00 0.00 H new ATOM 0 HA GLU A 74 13.230 -0.018 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.334 2.308 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.574 1.973 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.263 1.686 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.031 1.939 2.349 1.00 0.00 H new ATOM 1202 N LEU A 75 14.346 -0.201 1.874 1.00 0.00 N ATOM 1203 CA LEU A 75 13.966 -0.513 0.507 1.00 0.00 C ATOM 1204 C LEU A 75 13.289 -1.885 0.472 1.00 0.00 C ATOM 1205 O LEU A 75 12.287 -2.068 -0.218 1.00 0.00 O ATOM 1206 CB LEU A 75 15.175 -0.400 -0.423 1.00 0.00 C ATOM 1207 CG LEU A 75 14.960 -0.868 -1.864 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.692 0.042 -2.851 1.00 0.00 C ATOM 1209 CD2 LEU A 75 15.362 -2.335 -2.029 1.00 0.00 C ATOM 0 H LEU A 75 15.349 -0.089 2.023 1.00 0.00 H new ATOM 0 HA LEU A 75 13.240 0.211 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.496 0.642 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.994 -0.977 0.007 1.00 0.00 H new ATOM 0 HG LEU A 75 13.896 -0.798 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.523 -0.313 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.316 1.060 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.760 0.028 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.200 -2.643 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.416 -2.454 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.758 -2.955 -1.366 1.00 0.00 H new ATOM 1221 N ARG A 76 13.864 -2.812 1.223 1.00 0.00 N ATOM 1222 CA ARG A 76 13.328 -4.162 1.286 1.00 0.00 C ATOM 1223 C ARG A 76 11.902 -4.141 1.843 1.00 0.00 C ATOM 1224 O ARG A 76 10.999 -4.747 1.268 1.00 0.00 O ATOM 1225 CB ARG A 76 14.198 -5.059 2.166 1.00 0.00 C ATOM 1226 CG ARG A 76 15.125 -5.930 1.315 1.00 0.00 C ATOM 1227 CD ARG A 76 16.220 -6.569 2.173 1.00 0.00 C ATOM 1228 NE ARG A 76 16.180 -8.041 2.029 1.00 0.00 N ATOM 1229 CZ ARG A 76 16.874 -8.889 2.800 1.00 0.00 C ATOM 1230 NH1 ARG A 76 17.664 -8.417 3.773 1.00 0.00 N ATOM 1231 NH2 ARG A 76 16.777 -10.210 2.596 1.00 0.00 N ATOM 0 H ARG A 76 14.695 -2.656 1.793 1.00 0.00 H new ATOM 0 HA ARG A 76 13.321 -4.564 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.791 -4.445 2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.563 -5.694 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.545 -6.709 0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.580 -5.325 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.197 -6.192 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.082 -6.294 3.219 1.00 0.00 H new ATOM 0 HE ARG A 76 15.588 -8.434 1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.738 -7.411 3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.192 -9.063 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.175 -10.569 1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.305 -10.857 3.182 1.00 0.00 H new ATOM 1245 N SER A 77 11.745 -3.438 2.954 1.00 0.00 N ATOM 1246 CA SER A 77 10.446 -3.331 3.595 1.00 0.00 C ATOM 1247 C SER A 77 9.426 -2.749 2.614 1.00 0.00 C ATOM 1248 O SER A 77 8.281 -3.196 2.566 1.00 0.00 O ATOM 1249 CB SER A 77 10.523 -2.468 4.856 1.00 0.00 C ATOM 1250 OG SER A 77 10.568 -3.257 6.041 1.00 0.00 O ATOM 0 H SER A 77 12.497 -2.936 3.427 1.00 0.00 H new ATOM 0 HA SER A 77 10.127 -4.330 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.409 -1.835 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.659 -1.805 4.895 1.00 0.00 H new ATOM 0 HG SER A 77 10.618 -2.669 6.824 1.00 0.00 H new ATOM 1256 N LEU A 78 9.878 -1.759 1.858 1.00 0.00 N ATOM 1257 CA LEU A 78 9.019 -1.111 0.882 1.00 0.00 C ATOM 1258 C LEU A 78 8.541 -2.147 -0.138 1.00 0.00 C ATOM 1259 O LEU A 78 7.355 -2.210 -0.454 1.00 0.00 O ATOM 1260 CB LEU A 78 9.731 0.088 0.253 1.00 0.00 C ATOM 1261 CG LEU A 78 8.873 1.332 0.020 1.00 0.00 C ATOM 1262 CD1 LEU A 78 7.647 1.001 -0.834 1.00 0.00 C ATOM 1263 CD2 LEU A 78 8.485 1.987 1.348 1.00 0.00 C ATOM 0 H LEU A 78 10.828 -1.390 1.902 1.00 0.00 H new ATOM 0 HA LEU A 78 8.130 -0.706 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.569 0.364 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.150 -0.224 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 78 9.467 2.057 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.054 1.903 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.970 0.614 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.042 0.250 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.875 2.869 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.917 1.279 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.386 2.280 1.886 1.00 0.00 H new ATOM 1275 N TYR A 79 9.490 -2.932 -0.625 1.00 0.00 N ATOM 1276 CA TYR A 79 9.182 -3.963 -1.603 1.00 0.00 C ATOM 1277 C TYR A 79 8.132 -4.935 -1.061 1.00 0.00 C ATOM 1278 O TYR A 79 7.205 -5.314 -1.776 1.00 0.00 O ATOM 1279 CB TYR A 79 10.488 -4.722 -1.843 1.00 0.00 C ATOM 1280 CG TYR A 79 10.292 -6.164 -2.317 1.00 0.00 C ATOM 1281 CD1 TYR A 79 10.065 -6.425 -3.653 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.341 -7.202 -1.408 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.881 -7.781 -4.099 1.00 0.00 C ATOM 1284 CE2 TYR A 79 10.156 -8.558 -1.855 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.935 -8.781 -3.178 1.00 0.00 C ATOM 1286 OH TYR A 79 9.761 -10.063 -3.600 1.00 0.00 O ATOM 0 H TYR A 79 10.474 -2.875 -0.361 1.00 0.00 H new ATOM 0 HA TYR A 79 8.784 -3.520 -2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.078 -4.184 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.067 -4.729 -0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.025 -5.612 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.518 -6.997 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.704 -8.000 -5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.192 -9.380 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 79 9.826 -10.671 -2.834 1.00 0.00 H new ATOM 1296 N ASN A 80 8.312 -5.311 0.196 1.00 0.00 N ATOM 1297 CA ASN A 80 7.392 -6.232 0.841 1.00 0.00 C ATOM 1298 C ASN A 80 5.989 -5.621 0.852 1.00 0.00 C ATOM 1299 O ASN A 80 5.007 -6.309 0.579 1.00 0.00 O ATOM 1300 CB ASN A 80 7.803 -6.497 2.291 1.00 0.00 C ATOM 1301 CG ASN A 80 9.209 -7.099 2.361 1.00 0.00 C ATOM 1302 OD1 ASN A 80 9.644 -7.827 1.484 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.891 -6.754 3.449 1.00 0.00 N ATOM 0 H ASN A 80 9.082 -4.994 0.786 1.00 0.00 H new ATOM 0 HA ASN A 80 7.408 -7.169 0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.773 -5.566 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.089 -7.176 2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.839 -7.103 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.466 -6.140 4.144 1.00 0.00 H new ATOM 1310 N THR A 81 5.941 -4.336 1.170 1.00 0.00 N ATOM 1311 CA THR A 81 4.675 -3.624 1.219 1.00 0.00 C ATOM 1312 C THR A 81 3.997 -3.644 -0.152 1.00 0.00 C ATOM 1313 O THR A 81 2.787 -3.842 -0.248 1.00 0.00 O ATOM 1314 CB THR A 81 4.947 -2.213 1.742 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.456 -2.420 3.056 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.661 -1.412 1.963 1.00 0.00 C ATOM 0 H THR A 81 6.758 -3.769 1.396 1.00 0.00 H new ATOM 0 HA THR A 81 3.975 -4.109 1.899 1.00 0.00 H new ATOM 0 HB THR A 81 5.589 -1.684 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.410 -2.639 3.007 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.911 -0.418 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.122 -1.322 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.034 -1.925 2.692 1.00 0.00 H new ATOM 1324 N ILE A 82 4.807 -3.437 -1.179 1.00 0.00 N ATOM 1325 CA ILE A 82 4.301 -3.429 -2.541 1.00 0.00 C ATOM 1326 C ILE A 82 3.666 -4.785 -2.854 1.00 0.00 C ATOM 1327 O ILE A 82 2.575 -4.849 -3.417 1.00 0.00 O ATOM 1328 CB ILE A 82 5.406 -3.028 -3.521 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.906 -1.610 -3.234 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.940 -3.188 -4.970 1.00 0.00 C ATOM 1331 CD1 ILE A 82 4.829 -0.573 -3.556 1.00 0.00 C ATOM 0 H ILE A 82 5.810 -3.273 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 82 3.519 -2.677 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 82 6.250 -3.703 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.194 -1.527 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.799 -1.408 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.744 -2.896 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.672 -4.229 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.071 -2.553 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.210 0.426 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.561 -0.642 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.947 -0.763 -2.944 1.00 0.00 H new ATOM 1343 N ALA A 83 4.377 -5.837 -2.473 1.00 0.00 N ATOM 1344 CA ALA A 83 3.896 -7.188 -2.705 1.00 0.00 C ATOM 1345 C ALA A 83 2.526 -7.357 -2.049 1.00 0.00 C ATOM 1346 O ALA A 83 1.593 -7.864 -2.672 1.00 0.00 O ATOM 1347 CB ALA A 83 4.923 -8.194 -2.177 1.00 0.00 C ATOM 0 H ALA A 83 5.282 -5.780 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 83 3.776 -7.374 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.562 -9.208 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.871 -8.052 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.068 -8.039 -1.108 1.00 0.00 H new ATOM 1353 N VAL A 84 2.444 -6.922 -0.800 1.00 0.00 N ATOM 1354 CA VAL A 84 1.202 -7.018 -0.052 1.00 0.00 C ATOM 1355 C VAL A 84 0.112 -6.229 -0.780 1.00 0.00 C ATOM 1356 O VAL A 84 -1.020 -6.694 -0.901 1.00 0.00 O ATOM 1357 CB VAL A 84 1.420 -6.550 1.388 1.00 0.00 C ATOM 1358 CG1 VAL A 84 0.084 -6.337 2.103 1.00 0.00 C ATOM 1359 CG2 VAL A 84 2.304 -7.534 2.157 1.00 0.00 C ATOM 0 H VAL A 84 3.219 -6.502 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 84 0.869 -8.054 0.006 1.00 0.00 H new ATOM 0 HB VAL A 84 1.938 -5.592 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.267 -6.005 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.495 -5.581 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.473 -7.274 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.443 -7.177 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.826 -8.513 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.273 -7.613 1.665 1.00 0.00 H new ATOM 1369 N LEU A 85 0.492 -5.048 -1.246 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.439 -4.189 -1.958 1.00 0.00 C ATOM 1371 C LEU A 85 -0.957 -4.922 -3.197 1.00 0.00 C ATOM 1372 O LEU A 85 -2.153 -4.900 -3.482 1.00 0.00 O ATOM 1373 CB LEU A 85 0.208 -2.838 -2.268 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.692 -1.803 -2.945 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.810 -1.350 -2.006 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.129 -0.624 -3.472 1.00 0.00 C ATOM 0 H LEU A 85 1.432 -4.666 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.305 -3.966 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.579 -2.413 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.074 -3.010 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.167 -2.274 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.435 -0.614 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.418 -2.209 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.375 -0.903 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.535 0.097 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.651 -0.145 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.857 -0.984 -4.200 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.029 -5.555 -3.900 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.376 -6.293 -5.103 1.00 0.00 C ATOM 1390 C TYR A 86 -1.338 -7.440 -4.784 1.00 0.00 C ATOM 1391 O TYR A 86 -2.233 -7.742 -5.572 1.00 0.00 O ATOM 1392 CB TYR A 86 0.935 -6.877 -5.633 1.00 0.00 C ATOM 1393 CG TYR A 86 0.749 -7.944 -6.714 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.394 -9.230 -6.361 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.938 -7.620 -8.042 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.219 -10.233 -7.378 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.763 -8.625 -9.060 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.412 -9.882 -8.677 1.00 0.00 C ATOM 1399 OH TYR A 86 0.247 -10.830 -9.638 1.00 0.00 O ATOM 0 H TYR A 86 0.962 -5.572 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 86 -0.865 -5.640 -5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.544 -6.068 -6.036 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.490 -7.310 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.248 -9.484 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 86 1.217 -6.614 -8.318 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -0.060 -11.243 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.907 -8.385 -10.103 1.00 0.00 H new ATOM 0 HH TYR A 86 0.417 -10.436 -10.519 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.121 -8.046 -3.626 1.00 0.00 N ATOM 1410 CA CYS A 87 -1.958 -9.153 -3.194 1.00 0.00 C ATOM 1411 C CYS A 87 -3.380 -8.628 -2.989 1.00 0.00 C ATOM 1412 O CYS A 87 -4.348 -9.268 -3.401 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.408 -9.817 -1.930 1.00 0.00 C ATOM 1414 SG CYS A 87 0.303 -10.395 -2.221 1.00 0.00 S ATOM 0 H CYS A 87 -0.379 -7.792 -2.974 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.965 -9.928 -3.960 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.426 -9.110 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.041 -10.657 -1.646 1.00 0.00 H new ATOM 0 HG CYS A 87 1.059 -9.380 -2.517 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.464 -7.468 -2.354 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.752 -6.851 -2.090 1.00 0.00 C ATOM 1422 C VAL A 88 -5.400 -6.447 -3.416 1.00 0.00 C ATOM 1423 O VAL A 88 -6.623 -6.480 -3.549 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.581 -5.676 -1.125 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -5.919 -5.287 -0.493 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -3.538 -5.994 -0.052 1.00 0.00 C ATOM 0 H VAL A 88 -2.660 -6.939 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.423 -7.559 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.220 -4.822 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.770 -4.450 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.620 -4.997 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.321 -6.137 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.436 -5.142 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.855 -6.869 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.578 -6.198 -0.527 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.553 -6.075 -4.363 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.027 -5.664 -5.674 1.00 0.00 C ATOM 1438 C HIS A 89 -5.748 -6.834 -6.348 1.00 0.00 C ATOM 1439 O HIS A 89 -6.867 -6.680 -6.834 1.00 0.00 O ATOM 1440 CB HIS A 89 -3.878 -5.110 -6.519 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.465 -3.706 -6.148 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -4.374 -2.728 -5.787 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -2.231 -3.127 -6.087 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -3.708 -1.613 -5.522 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -2.379 -1.863 -5.709 1.00 0.00 N ATOM 0 H HIS A 89 -3.540 -6.049 -4.249 1.00 0.00 H new ATOM 0 HA HIS A 89 -5.746 -4.852 -5.567 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.016 -5.770 -6.419 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.172 -5.126 -7.569 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.293 -3.614 -6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.140 -0.673 -5.213 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.624 -1.189 -5.580 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.077 -7.976 -6.353 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.641 -9.171 -6.960 1.00 0.00 C ATOM 1456 C GLN A 90 -6.503 -9.924 -5.945 1.00 0.00 C ATOM 1457 O GLN A 90 -6.983 -11.021 -6.227 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.538 -10.073 -7.520 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.180 -9.675 -8.953 1.00 0.00 C ATOM 1460 CD GLN A 90 -5.171 -10.276 -9.953 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -5.391 -11.474 -10.004 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -5.757 -9.377 -10.740 1.00 0.00 N ATOM 0 H GLN A 90 -4.149 -8.100 -5.947 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.276 -8.869 -7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.652 -10.006 -6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.867 -11.112 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.180 -8.589 -9.043 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.171 -10.014 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.527 -8.388 -10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.437 -9.677 -11.439 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.672 -9.306 -4.785 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.468 -9.905 -3.728 1.00 0.00 C ATOM 1473 C ARG A 91 -6.985 -11.328 -3.440 1.00 0.00 C ATOM 1474 O ARG A 91 -7.780 -12.267 -3.428 1.00 0.00 O ATOM 1475 CB ARG A 91 -8.950 -9.944 -4.108 1.00 0.00 C ATOM 1476 CG ARG A 91 -9.510 -8.530 -4.278 1.00 0.00 C ATOM 1477 CD ARG A 91 -10.874 -8.395 -3.597 1.00 0.00 C ATOM 1478 NE ARG A 91 -11.903 -8.029 -4.596 1.00 0.00 N ATOM 1479 CZ ARG A 91 -12.362 -8.860 -5.541 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -11.886 -10.111 -5.622 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -13.297 -8.443 -6.404 1.00 0.00 N ATOM 0 H ARG A 91 -6.271 -8.397 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.349 -9.290 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.077 -10.503 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.513 -10.472 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.814 -7.806 -3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.604 -8.297 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.143 -9.334 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.827 -7.636 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.287 -7.085 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.175 -10.430 -4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.235 -10.744 -6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.660 -7.492 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.646 -9.076 -7.123 1.00 0.00 H new ATOM 1495 N ILE A 92 -5.684 -11.443 -3.214 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.085 -12.735 -2.928 1.00 0.00 C ATOM 1497 C ILE A 92 -5.111 -12.981 -1.418 1.00 0.00 C ATOM 1498 O ILE A 92 -4.690 -12.126 -0.639 1.00 0.00 O ATOM 1499 CB ILE A 92 -3.687 -12.826 -3.542 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -3.766 -13.028 -5.056 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -2.859 -13.916 -2.860 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -2.718 -12.177 -5.778 1.00 0.00 C ATOM 0 H ILE A 92 -5.028 -10.662 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.664 -13.534 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.175 -11.879 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.612 -14.080 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.762 -12.763 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.870 -13.960 -3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.760 -13.688 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.356 -14.879 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.795 -12.339 -6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.889 -11.124 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.722 -12.462 -5.439 1.00 0.00 H new ATOM 1514 N ASP A 93 -5.610 -14.152 -1.049 1.00 0.00 N ATOM 1515 CA ASP A 93 -5.696 -14.520 0.354 1.00 0.00 C ATOM 1516 C ASP A 93 -4.427 -14.062 1.076 1.00 0.00 C ATOM 1517 O ASP A 93 -3.362 -14.651 0.900 1.00 0.00 O ATOM 1518 CB ASP A 93 -5.812 -16.037 0.519 1.00 0.00 C ATOM 1519 CG ASP A 93 -7.236 -16.557 0.724 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -8.149 -15.974 0.100 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -7.379 -17.526 1.501 1.00 0.00 O ATOM 0 H ASP A 93 -5.959 -14.858 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.581 -14.042 0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.389 -16.517 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.203 -16.343 1.370 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.584 -13.015 1.873 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.464 -12.472 2.622 1.00 0.00 C ATOM 1528 C VAL A 94 -3.798 -12.490 4.115 1.00 0.00 C ATOM 1529 O VAL A 94 -4.933 -12.771 4.497 1.00 0.00 O ATOM 1530 CB VAL A 94 -3.118 -11.074 2.105 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -2.242 -11.156 0.853 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -4.383 -10.259 1.837 1.00 0.00 C ATOM 0 H VAL A 94 -5.469 -12.529 2.016 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.575 -13.087 2.480 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.549 -10.561 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.010 -10.150 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.316 -11.681 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.775 -11.696 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.108 -9.270 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.991 -10.767 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.953 -10.158 2.760 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.790 -12.187 4.919 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.962 -12.164 6.361 1.00 0.00 C ATOM 1544 C LYS A 95 -1.682 -11.642 7.017 1.00 0.00 C ATOM 1545 O LYS A 95 -1.739 -10.871 7.973 1.00 0.00 O ATOM 1546 CB LYS A 95 -3.396 -13.541 6.870 1.00 0.00 C ATOM 1547 CG LYS A 95 -4.660 -13.436 7.725 1.00 0.00 C ATOM 1548 CD LYS A 95 -5.310 -14.809 7.913 1.00 0.00 C ATOM 1549 CE LYS A 95 -6.356 -15.074 6.828 1.00 0.00 C ATOM 1550 NZ LYS A 95 -7.455 -15.909 7.361 1.00 0.00 N ATOM 0 H LYS A 95 -1.850 -11.955 4.598 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.763 -11.479 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.579 -14.204 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.592 -13.986 7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.411 -13.011 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.368 -12.756 7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.545 -15.585 7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.779 -14.862 8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.755 -14.129 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.890 -15.575 5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.156 -16.079 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.072 -16.818 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.910 -15.417 8.156 1.00 0.00 H new ATOM 1564 N ASP A 96 -0.556 -12.082 6.473 1.00 0.00 N ATOM 1565 CA ASP A 96 0.737 -11.668 6.993 1.00 0.00 C ATOM 1566 C ASP A 96 1.650 -11.285 5.828 1.00 0.00 C ATOM 1567 O ASP A 96 1.412 -11.684 4.689 1.00 0.00 O ATOM 1568 CB ASP A 96 1.409 -12.804 7.768 1.00 0.00 C ATOM 1569 CG ASP A 96 1.008 -14.213 7.325 1.00 0.00 C ATOM 1570 OD1 ASP A 96 -0.148 -14.592 7.612 1.00 0.00 O ATOM 1571 OD2 ASP A 96 1.868 -14.880 6.710 1.00 0.00 O ATOM 0 H ASP A 96 -0.512 -12.720 5.678 1.00 0.00 H new ATOM 0 HA ASP A 96 0.577 -10.822 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.490 -12.702 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.174 -12.691 8.826 1.00 0.00 H new ATOM 1576 N THR A 97 2.679 -10.515 6.152 1.00 0.00 N ATOM 1577 CA THR A 97 3.631 -10.074 5.147 1.00 0.00 C ATOM 1578 C THR A 97 4.474 -11.252 4.657 1.00 0.00 C ATOM 1579 O THR A 97 4.946 -11.253 3.521 1.00 0.00 O ATOM 1580 CB THR A 97 4.462 -8.939 5.748 1.00 0.00 C ATOM 1581 OG1 THR A 97 3.502 -7.936 6.067 1.00 0.00 O ATOM 1582 CG2 THR A 97 5.372 -8.270 4.716 1.00 0.00 C ATOM 0 H THR A 97 2.874 -10.185 7.097 1.00 0.00 H new ATOM 0 HA THR A 97 3.123 -9.690 4.263 1.00 0.00 H new ATOM 0 HB THR A 97 5.067 -9.327 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.984 -8.216 6.851 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.939 -7.472 5.194 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.060 -9.008 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.765 -7.852 3.912 1.00 0.00 H new ATOM 1590 N LYS A 98 4.639 -12.227 5.538 1.00 0.00 N ATOM 1591 CA LYS A 98 5.419 -13.409 5.211 1.00 0.00 C ATOM 1592 C LYS A 98 4.659 -14.245 4.178 1.00 0.00 C ATOM 1593 O LYS A 98 5.244 -14.712 3.202 1.00 0.00 O ATOM 1594 CB LYS A 98 5.780 -14.182 6.481 1.00 0.00 C ATOM 1595 CG LYS A 98 6.537 -15.468 6.143 1.00 0.00 C ATOM 1596 CD LYS A 98 8.039 -15.300 6.383 1.00 0.00 C ATOM 1597 CE LYS A 98 8.851 -16.038 5.318 1.00 0.00 C ATOM 1598 NZ LYS A 98 10.185 -15.416 5.160 1.00 0.00 N ATOM 0 H LYS A 98 4.246 -12.223 6.479 1.00 0.00 H new ATOM 0 HA LYS A 98 6.369 -13.125 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.391 -13.556 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.872 -14.424 7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.157 -16.288 6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.359 -15.736 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.296 -14.241 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.298 -15.681 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.962 -17.085 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.319 -16.017 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.723 -15.929 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.073 -14.423 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.697 -15.458 6.064 1.00 0.00 H new ATOM 1612 N GLU A 99 3.368 -14.407 4.429 1.00 0.00 N ATOM 1613 CA GLU A 99 2.523 -15.179 3.533 1.00 0.00 C ATOM 1614 C GLU A 99 2.393 -14.469 2.184 1.00 0.00 C ATOM 1615 O GLU A 99 2.552 -15.089 1.134 1.00 0.00 O ATOM 1616 CB GLU A 99 1.148 -15.429 4.156 1.00 0.00 C ATOM 1617 CG GLU A 99 1.154 -16.704 5.001 1.00 0.00 C ATOM 1618 CD GLU A 99 1.028 -17.947 4.119 1.00 0.00 C ATOM 1619 OE1 GLU A 99 0.294 -17.856 3.111 1.00 0.00 O ATOM 1620 OE2 GLU A 99 1.668 -18.961 4.472 1.00 0.00 O ATOM 0 H GLU A 99 2.887 -14.017 5.239 1.00 0.00 H new ATOM 0 HA GLU A 99 2.992 -16.149 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.866 -14.578 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.398 -15.513 3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.076 -16.756 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.331 -16.675 5.715 1.00 0.00 H new ATOM 1627 N ALA A 100 2.105 -13.178 2.256 1.00 0.00 N ATOM 1628 CA ALA A 100 1.952 -12.376 1.054 1.00 0.00 C ATOM 1629 C ALA A 100 3.210 -12.509 0.194 1.00 0.00 C ATOM 1630 O ALA A 100 3.121 -12.737 -1.012 1.00 0.00 O ATOM 1631 CB ALA A 100 1.660 -10.925 1.441 1.00 0.00 C ATOM 0 H ALA A 100 1.973 -12.667 3.129 1.00 0.00 H new ATOM 0 HA ALA A 100 1.109 -12.730 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.545 -10.324 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.741 -10.882 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.486 -10.534 2.035 1.00 0.00 H new ATOM 1637 N LEU A 101 4.354 -12.360 0.847 1.00 0.00 N ATOM 1638 CA LEU A 101 5.628 -12.461 0.157 1.00 0.00 C ATOM 1639 C LEU A 101 5.827 -13.896 -0.330 1.00 0.00 C ATOM 1640 O LEU A 101 6.464 -14.125 -1.358 1.00 0.00 O ATOM 1641 CB LEU A 101 6.761 -11.951 1.049 1.00 0.00 C ATOM 1642 CG LEU A 101 7.225 -10.515 0.791 1.00 0.00 C ATOM 1643 CD1 LEU A 101 8.415 -10.155 1.682 1.00 0.00 C ATOM 1644 CD2 LEU A 101 7.533 -10.297 -0.692 1.00 0.00 C ATOM 0 H LEU A 101 4.424 -12.170 1.847 1.00 0.00 H new ATOM 0 HA LEU A 101 5.635 -11.821 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.441 -12.027 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.617 -12.615 0.930 1.00 0.00 H new ATOM 0 HG LEU A 101 6.410 -9.840 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.725 -9.130 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.126 -10.246 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.243 -10.832 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.860 -9.269 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.322 -10.981 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.636 -10.486 -1.282 1.00 0.00 H new ATOM 1656 N ASP A 102 5.271 -14.829 0.431 1.00 0.00 N ATOM 1657 CA ASP A 102 5.381 -16.237 0.090 1.00 0.00 C ATOM 1658 C ASP A 102 4.603 -16.506 -1.202 1.00 0.00 C ATOM 1659 O ASP A 102 5.067 -17.246 -2.066 1.00 0.00 O ATOM 1660 CB ASP A 102 4.789 -17.117 1.191 1.00 0.00 C ATOM 1661 CG ASP A 102 5.105 -18.610 1.065 1.00 0.00 C ATOM 1662 OD1 ASP A 102 5.644 -18.988 0.003 1.00 0.00 O ATOM 1663 OD2 ASP A 102 4.798 -19.338 2.034 1.00 0.00 O ATOM 0 H ASP A 102 4.743 -14.636 1.282 1.00 0.00 H new ATOM 0 HA ASP A 102 6.438 -16.474 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.156 -16.763 2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.707 -16.989 1.195 1.00 0.00 H new ATOM 1668 N LYS A 103 3.435 -15.889 -1.289 1.00 0.00 N ATOM 1669 CA LYS A 103 2.588 -16.053 -2.459 1.00 0.00 C ATOM 1670 C LYS A 103 3.282 -15.437 -3.675 1.00 0.00 C ATOM 1671 O LYS A 103 3.376 -16.068 -4.726 1.00 0.00 O ATOM 1672 CB LYS A 103 1.192 -15.485 -2.194 1.00 0.00 C ATOM 1673 CG LYS A 103 0.238 -16.578 -1.707 1.00 0.00 C ATOM 1674 CD LYS A 103 -0.294 -16.259 -0.309 1.00 0.00 C ATOM 1675 CE LYS A 103 -1.624 -16.969 -0.053 1.00 0.00 C ATOM 1676 NZ LYS A 103 -1.418 -18.430 0.064 1.00 0.00 N ATOM 0 H LYS A 103 3.054 -15.275 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 103 2.440 -17.111 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.254 -14.692 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.800 -15.035 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.595 -16.675 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.755 -17.537 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.436 -16.565 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.426 -15.182 -0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.078 -16.585 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.318 -16.758 -0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.331 -18.897 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.005 -18.794 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.772 -18.627 0.855 1.00 0.00 H new ATOM 1690 N ILE A 104 3.749 -14.211 -3.491 1.00 0.00 N ATOM 1691 CA ILE A 104 4.433 -13.502 -4.561 1.00 0.00 C ATOM 1692 C ILE A 104 5.694 -14.274 -4.953 1.00 0.00 C ATOM 1693 O ILE A 104 6.064 -14.311 -6.126 1.00 0.00 O ATOM 1694 CB ILE A 104 4.699 -12.051 -4.157 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.393 -11.325 -3.826 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.502 -11.321 -5.235 1.00 0.00 C ATOM 1697 CD1 ILE A 104 2.469 -11.274 -5.044 1.00 0.00 C ATOM 0 H ILE A 104 3.668 -13.690 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 104 3.803 -13.450 -5.449 1.00 0.00 H new ATOM 0 HB ILE A 104 5.304 -12.055 -3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.889 -11.833 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.612 -10.312 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.678 -10.291 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.458 -11.824 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.943 -11.326 -6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.549 -10.753 -4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.967 -10.744 -5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.233 -12.289 -5.364 1.00 0.00 H new ATOM 1709 N GLU A 105 6.321 -14.869 -3.949 1.00 0.00 N ATOM 1710 CA GLU A 105 7.533 -15.638 -4.175 1.00 0.00 C ATOM 1711 C GLU A 105 7.203 -16.960 -4.869 1.00 0.00 C ATOM 1712 O GLU A 105 8.017 -17.491 -5.623 1.00 0.00 O ATOM 1713 CB GLU A 105 8.281 -15.879 -2.862 1.00 0.00 C ATOM 1714 CG GLU A 105 9.545 -16.710 -3.096 1.00 0.00 C ATOM 1715 CD GLU A 105 10.755 -16.072 -2.412 1.00 0.00 C ATOM 1716 OE1 GLU A 105 10.626 -15.754 -1.210 1.00 0.00 O ATOM 1717 OE2 GLU A 105 11.782 -15.916 -3.107 1.00 0.00 O ATOM 0 H GLU A 105 6.013 -14.834 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 105 8.188 -15.062 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.548 -14.923 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.628 -16.394 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.397 -17.720 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.733 -16.799 -4.166 1.00 0.00 H new